N-butyl-3-[(5-chloro-2-methylphenyl)sulfamoyl]benzamide

C18H21ClN2O3S — CID 109062606

IUPACN-butyl-3-[(5-chloro-2-methylphenyl)sulfamoyl]benzamide
SMILESCCCCNC(=O)c1cccc(S(=O)(=O)Nc2cc(Cl)ccc2C)c1
InChIInChI=1S/C18H21ClN2O3S/c1-3-4-10-20-18(22)14-6-5-7-16(11-14)25(23,24)21-17-12-15(19)9-8-13(17)2/h5-9,11-12,21H,3-4,10H2,1-2H3,(H,20,22)
InChIKeyRXCRUHCPBMWVQR-UHFFFAOYSA-N
MW380.90 g/mol
LogP3.98
Rot. Bonds7

About N-butyl-3-[(5-chloro-2-methylphenyl)sulfamoyl]benzamide

N-butyl-3-[(5-chloro-2-methylphenyl)sulfamoyl]benzamide (PubChem CID 109062606) has the molecular formula C18H21ClN2O3S and a molecular weight of 380.90 g/mol. Its IUPAC name is N-butyl-3-[(5-chloro-2-methylphenyl)sulfamoyl]benzamide.

Molecular Properties

Compound NameN-butyl-3-[(5-chloro-2-methylphenyl)sulfamoyl]benzamide
PubChem CID109062606
Molecular FormulaC18H21ClN2O3S
Molecular Weight380.90 g/mol
Exact Mass380.10
IUPAC NameN-butyl-3-[(5-chloro-2-methylphenyl)sulfamoyl]benzamide
SMILESCCCCNC(=O)c1cccc(S(=O)(=O)Nc2cc(Cl)ccc2C)c1
InChIInChI=1S/C18H21ClN2O3S/c1-3-4-10-20-18(22)14-6-5-7-16(11-14)25(23,24)21-17-12-15(19)9-8-13(17)2/h5-9,11-12,21H,3-4,10H2,1-2H3,(H,20,22)
InChIKeyRXCRUHCPBMWVQR-UHFFFAOYSA-N
XLogP3.98
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.90
LogP ≤ 53.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-butyl-3-[(2,5-dimethylphenyl)sulfamoyl]benzamide
CID 109062590
N-(5-chloro-2-methylphenyl)-3-(hydrazinecarbonyl)benzenesulfonamide
CID 100657069
N-butyl-3-[(2-chlorophenyl)sulfamoyl]benzamide
CID 18106251
3-acetyl-N-(5-chloro-2-methylphenyl)benzenesulfonamide
CID 8504652
3-[(5-chloro-2-methylphenyl)sulfamoyl]benzoic acid
CID 8504645
3-[(2,6-dimethylphenyl)sulfamoyl]-N-pentylbenzamide
CID 109065412
3-[(5-chloro-2-methylphenyl)sulfamoyl]-N-cyclopentylbenzamide
CID 109063245
3-[(2,4-dimethylphenyl)sulfamoyl]-N-propylbenzamide
CID 109062045
1-N-butyl-3-N-(4-chloro-2-methylphenyl)benzene-1,3-dicarboxamide
CID 109051168
methyl 4-[[3-(butylcarbamoyl)phenyl]sulfonylamino]benzoate
CID 109062626
N-(5-chloro-2-methylphenyl)-3-(piperidine-1-carbonyl)benzenesulfonamide
CID 109063322
1-N-butyl-3-N-(2,5-dichlorophenyl)benzene-1,3-dicarboxamide
CID 109051226

Frequently Asked Questions

What is the IUPAC name of N-butyl-3-[(5-chloro-2-methylphenyl)sulfamoyl]benzamide?
The IUPAC name of N-butyl-3-[(5-chloro-2-methylphenyl)sulfamoyl]benzamide (CID 109062606) is N-butyl-3-[(5-chloro-2-methylphenyl)sulfamoyl]benzamide.
What is the SMILES notation for N-butyl-3-[(5-chloro-2-methylphenyl)sulfamoyl]benzamide?
The canonical SMILES for N-butyl-3-[(5-chloro-2-methylphenyl)sulfamoyl]benzamide is CCCCNC(=O)c1cccc(S(=O)(=O)Nc2cc(Cl)ccc2C)c1.
What is the InChIKey of N-butyl-3-[(5-chloro-2-methylphenyl)sulfamoyl]benzamide?
The InChIKey is RXCRUHCPBMWVQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21ClN2O3S/c1-3-4-10-20-18(22)14-6-5-7-16(11-14)25(23,24)21-17-12-15(19)9-8-13(17)2/h5-9,11-12,21H,3-4,10H2,1-2H3,(H,20,22).
What are the key properties of N-butyl-3-[(5-chloro-2-methylphenyl)sulfamoyl]benzamide?
N-butyl-3-[(5-chloro-2-methylphenyl)sulfamoyl]benzamide has a molecular weight of 380.90 g/mol, XLogP of 3.98, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-3-[(5-chloro-2-methylphenyl)sulfamoyl]benzamide is sourced from PubChem (CID 109062606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).