3-chloro-5-methyl-4-nitrobenzenesulfonamide

C7H7ClN2O4S — CID 135743483

IUPAC3-chloro-5-methyl-4-nitrobenzenesulfonamide
SMILESCc1cc(S(N)(=O)=O)cc(Cl)c1[N+](=O)[O-]
InChIInChI=1S/C7H7ClN2O4S/c1-4-2-5(15(9,13)14)3-6(8)7(4)10(11)12/h2-3H,1H3,(H2,9,13,14)
InChIKeyZBAFEGRIHSBRTR-UHFFFAOYSA-N
MW250.66 g/mol
LogP1.20
Rot. Bonds2

About 3-chloro-5-methyl-4-nitrobenzenesulfonamide

3-chloro-5-methyl-4-nitrobenzenesulfonamide (PubChem CID 135743483) has the molecular formula C7H7ClN2O4S and a molecular weight of 250.66 g/mol. Its IUPAC name is 3-chloro-5-methyl-4-nitrobenzenesulfonamide.

Molecular Properties

Compound Name3-chloro-5-methyl-4-nitrobenzenesulfonamide
PubChem CID135743483
Molecular FormulaC7H7ClN2O4S
Molecular Weight250.66 g/mol
Exact Mass249.98
IUPAC Name3-chloro-5-methyl-4-nitrobenzenesulfonamide
SMILESCc1cc(S(N)(=O)=O)cc(Cl)c1[N+](=O)[O-]
InChIInChI=1S/C7H7ClN2O4S/c1-4-2-5(15(9,13)14)3-6(8)7(4)10(11)12/h2-3H,1H3,(H2,9,13,14)
InChIKeyZBAFEGRIHSBRTR-UHFFFAOYSA-N
XLogP1.20
TPSA103.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.66
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-chloro-5-methyl-4-nitroaniline
CID 130951026
3-chloro-5-methyl-4-nitrobenzenethiol
CID 130864737
1-chloro-5-iodo-3-methyl-2-nitrobenzene
CID 131166880
1,3-dichloro-4,5-dimethyl-2-nitrobenzene
CID 20726985
3-bromo-4-chloro-5-methylbenzenesulfonamide
CID 171001910
4-chloro-5-methylbenzene-1,3-disulfonamide
CID 134098209
2,4-dimethyl-3-nitrobenzenesulfonamide
CID 118990328
1,5-dichloro-2,3,4-trinitrobenzene
CID 172863590
3,5-dichloro-4-(methanesulfonamido)benzenesulfonamide
CID 43134231
4-chloro-3-fluoro-5-methylbenzenesulfonamide
CID 118838881
sodium 3-chloro-4,5-dinitrobenzenesulfonate
CID 101305520
5-chloro-3-methyl-2-nitrobenzenesulfonyl chloride
CID 131471167

Frequently Asked Questions

What is the IUPAC name of 3-chloro-5-methyl-4-nitrobenzenesulfonamide?
The IUPAC name of 3-chloro-5-methyl-4-nitrobenzenesulfonamide (CID 135743483) is 3-chloro-5-methyl-4-nitrobenzenesulfonamide.
What is the SMILES notation for 3-chloro-5-methyl-4-nitrobenzenesulfonamide?
The canonical SMILES for 3-chloro-5-methyl-4-nitrobenzenesulfonamide is Cc1cc(S(N)(=O)=O)cc(Cl)c1[N+](=O)[O-].
What is the InChIKey of 3-chloro-5-methyl-4-nitrobenzenesulfonamide?
The InChIKey is ZBAFEGRIHSBRTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7ClN2O4S/c1-4-2-5(15(9,13)14)3-6(8)7(4)10(11)12/h2-3H,1H3,(H2,9,13,14).
What are the key properties of 3-chloro-5-methyl-4-nitrobenzenesulfonamide?
3-chloro-5-methyl-4-nitrobenzenesulfonamide has a molecular weight of 250.66 g/mol, XLogP of 1.20, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-5-methyl-4-nitrobenzenesulfonamide is sourced from PubChem (CID 135743483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).