N-(3-chloro-2-methylphenyl)-2,3-dimethyl-5-nitrobenzenesulfonamide

C15H15ClN2O4S — CID 26486969

IUPACN-(3-chloro-2-methylphenyl)-2,3-dimethyl-5-nitrobenzenesulfonamide
SMILESCc1cc([N+](=O)[O-])cc(S(=O)(=O)Nc2cccc(Cl)c2C)c1C
InChIInChI=1S/C15H15ClN2O4S/c1-9-7-12(18(19)20)8-15(10(9)2)23(21,22)17-14-6-4-5-13(16)11(14)3/h4-8,17H,1-3H3
InChIKeyGAPCAZIVRSPNFX-UHFFFAOYSA-N
MW354.82 g/mol
LogP3.97
Rot. Bonds4

About N-(3-chloro-2-methylphenyl)-2,3-dimethyl-5-nitrobenzenesulfonamide

N-(3-chloro-2-methylphenyl)-2,3-dimethyl-5-nitrobenzenesulfonamide (PubChem CID 26486969) has the molecular formula C15H15ClN2O4S and a molecular weight of 354.82 g/mol. Its IUPAC name is N-(3-chloro-2-methylphenyl)-2,3-dimethyl-5-nitrobenzenesulfonamide.

Molecular Properties

Compound NameN-(3-chloro-2-methylphenyl)-2,3-dimethyl-5-nitrobenzenesulfonamide
PubChem CID26486969
Molecular FormulaC15H15ClN2O4S
Molecular Weight354.82 g/mol
Exact Mass354.04
IUPAC NameN-(3-chloro-2-methylphenyl)-2,3-dimethyl-5-nitrobenzenesulfonamide
SMILESCc1cc([N+](=O)[O-])cc(S(=O)(=O)Nc2cccc(Cl)c2C)c1C
InChIInChI=1S/C15H15ClN2O4S/c1-9-7-12(18(19)20)8-15(10(9)2)23(21,22)17-14-6-4-5-13(16)11(14)3/h4-8,17H,1-3H3
InChIKeyGAPCAZIVRSPNFX-UHFFFAOYSA-N
XLogP3.97
TPSA89.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.82
LogP ≤ 53.97
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

N-(3-chloro-2-ethoxyphenyl)-2,3-dimethyl-5-nitrobenzenesulfonamide
CID 60579062
N-(2-fluoro-3-hydroxyphenyl)-2,3-dimethyl-5-nitrobenzenesulfonamide
CID 75393186
N-(2-amino-3-nitrophenyl)-2,3-dimethyl-5-nitrobenzenesulfonamide
CID 75456692
N-(5-chloro-1-methylpyrazol-4-yl)-2,3-dimethyl-5-nitrobenzenesulfonamide
CID 126823955
N,2,3-trimethyl-5-nitrobenzenesulfonamide
CID 26527022
N-[4-[(3-chloro-2-methylphenyl)sulfamoyl]phenyl]-3-methyl-4-nitrobenzenesulfonamide
CID 175722759
2-[(2,3-dimethyl-5-nitrophenyl)sulfonylamino]-N-propylbenzamide
CID 24510149
N-tert-butyl-2,3-dimethyl-5-nitrobenzenesulfonamide
CID 17410019
3-chloro-N-[(2-chloro-5-nitrophenyl)methyl]-2-methylaniline
CID 43462231
3-amino-5-bromo-N-(3-chloro-2-methylphenyl)-2-methylbenzenesulfonamide
CID 114378692
2-[(2,3-dimethyl-5-nitrophenyl)sulfonylamino]-N-prop-2-enylbenzamide
CID 40687985
N-(2,3-dimethylphenyl)-3-nitrobenzenesulfonamide
CID 22773660

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-2-methylphenyl)-2,3-dimethyl-5-nitrobenzenesulfonamide?
The IUPAC name of N-(3-chloro-2-methylphenyl)-2,3-dimethyl-5-nitrobenzenesulfonamide (CID 26486969) is N-(3-chloro-2-methylphenyl)-2,3-dimethyl-5-nitrobenzenesulfonamide.
What is the SMILES notation for N-(3-chloro-2-methylphenyl)-2,3-dimethyl-5-nitrobenzenesulfonamide?
The canonical SMILES for N-(3-chloro-2-methylphenyl)-2,3-dimethyl-5-nitrobenzenesulfonamide is Cc1cc([N+](=O)[O-])cc(S(=O)(=O)Nc2cccc(Cl)c2C)c1C.
What is the InChIKey of N-(3-chloro-2-methylphenyl)-2,3-dimethyl-5-nitrobenzenesulfonamide?
The InChIKey is GAPCAZIVRSPNFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN2O4S/c1-9-7-12(18(19)20)8-15(10(9)2)23(21,22)17-14-6-4-5-13(16)11(14)3/h4-8,17H,1-3H3.
What are the key properties of N-(3-chloro-2-methylphenyl)-2,3-dimethyl-5-nitrobenzenesulfonamide?
N-(3-chloro-2-methylphenyl)-2,3-dimethyl-5-nitrobenzenesulfonamide has a molecular weight of 354.82 g/mol, XLogP of 3.97, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-2-methylphenyl)-2,3-dimethyl-5-nitrobenzenesulfonamide is sourced from PubChem (CID 26486969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).