N-(2-chlorophenyl)-4-(cyclopropylamino)-3-nitrobenzenesulfonamide

C15H14ClN3O4S — CID 4782863

IUPACN-(2-chlorophenyl)-4-(cyclopropylamino)-3-nitrobenzenesulfonamide
SMILESO=[N+]([O-])c1cc(S(=O)(=O)Nc2ccccc2Cl)ccc1NC1CC1
InChIInChI=1S/C15H14ClN3O4S/c16-12-3-1-2-4-13(12)18-24(22,23)11-7-8-14(17-10-5-6-10)15(9-11)19(20)21/h1-4,7-10,17-18H,5-6H2
InChIKeyZFYBNQMBVNSOND-UHFFFAOYSA-N
MW367.81 g/mol
LogP3.62
Rot. Bonds6

About N-(2-chlorophenyl)-4-(cyclopropylamino)-3-nitrobenzenesulfonamide

N-(2-chlorophenyl)-4-(cyclopropylamino)-3-nitrobenzenesulfonamide (PubChem CID 4782863) has the molecular formula C15H14ClN3O4S and a molecular weight of 367.81 g/mol. Its IUPAC name is N-(2-chlorophenyl)-4-(cyclopropylamino)-3-nitrobenzenesulfonamide.

Molecular Properties

Compound NameN-(2-chlorophenyl)-4-(cyclopropylamino)-3-nitrobenzenesulfonamide
PubChem CID4782863
Molecular FormulaC15H14ClN3O4S
Molecular Weight367.81 g/mol
Exact Mass367.04
IUPAC NameN-(2-chlorophenyl)-4-(cyclopropylamino)-3-nitrobenzenesulfonamide
SMILESO=[N+]([O-])c1cc(S(=O)(=O)Nc2ccccc2Cl)ccc1NC1CC1
InChIInChI=1S/C15H14ClN3O4S/c16-12-3-1-2-4-13(12)18-24(22,23)11-7-8-14(17-10-5-6-10)15(9-11)19(20)21/h1-4,7-10,17-18H,5-6H2
InChIKeyZFYBNQMBVNSOND-UHFFFAOYSA-N
XLogP3.62
TPSA101.34 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.81
LogP ≤ 53.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

4-(cyclohexylamino)-N-methyl-3-nitrobenzenesulfonamide
CID 9186979
N-(2-chlorophenyl)-4-methoxy-3-nitrobenzenesulfonamide
CID 3964142
N-(2-chlorophenyl)-4-[[(2S)-2-cyanopropyl]amino]-3-nitrobenzenesulfonamide
CID 95785196
4-(2-nitro-4-piperidin-1-ylsulfonylanilino)cyclohexan-1-ol
CID 9282828
4-[(1R,5R)-8-azabicyclo[3.2.1]oct-2-en-8-yl]-N-(2-chlorophenyl)-3-nitrobenzenesulfonamide
CID 98239569
4-chloro-N-(2-methylphenyl)-3-nitrobenzenesulfonamide
CID 7593889
4-(cyclopropylamino)-N,N-diethyl-3-nitrobenzenesulfonamide
CID 9281730
4-(cyclopent-3-en-1-ylamino)-N-methyl-3-nitrobenzenesulfonamide
CID 133362103
N-(2,3-dichlorophenyl)-4-methyl-3-nitrobenzenesulfonamide
CID 3322444
4-(azetidin-3-ylamino)-N-methyl-3-nitrobenzenesulfonamide
CID 66186796
4-chloro-N-[2-(difluoromethoxy)phenyl]-3-nitrobenzenesulfonamide
CID 5212031
N-(2-chlorophenyl)-3-(4-nitro-1H-benzimidazol-2-yl)benzenesulfonamide
CID 142088863

Frequently Asked Questions

What is the IUPAC name of N-(2-chlorophenyl)-4-(cyclopropylamino)-3-nitrobenzenesulfonamide?
The IUPAC name of N-(2-chlorophenyl)-4-(cyclopropylamino)-3-nitrobenzenesulfonamide (CID 4782863) is N-(2-chlorophenyl)-4-(cyclopropylamino)-3-nitrobenzenesulfonamide.
What is the SMILES notation for N-(2-chlorophenyl)-4-(cyclopropylamino)-3-nitrobenzenesulfonamide?
The canonical SMILES for N-(2-chlorophenyl)-4-(cyclopropylamino)-3-nitrobenzenesulfonamide is O=[N+]([O-])c1cc(S(=O)(=O)Nc2ccccc2Cl)ccc1NC1CC1.
What is the InChIKey of N-(2-chlorophenyl)-4-(cyclopropylamino)-3-nitrobenzenesulfonamide?
The InChIKey is ZFYBNQMBVNSOND-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClN3O4S/c16-12-3-1-2-4-13(12)18-24(22,23)11-7-8-14(17-10-5-6-10)15(9-11)19(20)21/h1-4,7-10,17-18H,5-6H2.
What are the key properties of N-(2-chlorophenyl)-4-(cyclopropylamino)-3-nitrobenzenesulfonamide?
N-(2-chlorophenyl)-4-(cyclopropylamino)-3-nitrobenzenesulfonamide has a molecular weight of 367.81 g/mol, XLogP of 3.62, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chlorophenyl)-4-(cyclopropylamino)-3-nitrobenzenesulfonamide is sourced from PubChem (CID 4782863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).