4-methanesulfonyl-2-nitroaniline

4-methanesulfonyl-2-nitroaniline

CAS: 21731-56-6

Formula: C7H8N2O4S

SMILES: CS(=O)(=O)C1=CC=C(N)C(=C1)[N+]([O-])=O

IUPAC: 4-methanesulfonyl-2-nitroaniline

InChI: InChI=1S/C7H8N2O4S/c1-14(12,13)5-2-3-6(8)7(4-5)9(10)11/h2-4H,8H2,1H3

Composition: C (38.89%), H (3.73%), N (12.96%), O (29.60%), S (14.83%)

Molar Mass: 216.21

Atom Count: 22

Heavy Atom Count: 14

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	216.02047792
Formal Charge	0
FSP3	0.14
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	1
InChIKey	NDZFWKZHVAUUTN-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	51.08
Topological Polar Surface Area	103.3
Polarizability	19.46
Ring Count	1
Rotatable Bond Count	2

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