4-chloro-N-pentyl-3-(phenylsulfamoyl)benzamide

C18H21ClN2O3S — CID 126415696

IUPAC4-chloro-N-pentyl-3-(phenylsulfamoyl)benzamide
SMILESCCCCCNC(=O)c1ccc(Cl)c(S(=O)(=O)Nc2ccccc2)c1
InChIInChI=1S/C18H21ClN2O3S/c1-2-3-7-12-20-18(22)14-10-11-16(19)17(13-14)25(23,24)21-15-8-5-4-6-9-15/h4-6,8-11,13,21H,2-3,7,12H2,1H3,(H,20,22)
InChIKeyGSBDEDBXRZVBPB-UHFFFAOYSA-N
MW380.90 g/mol
LogP4.06
Rot. Bonds8

About 4-chloro-N-pentyl-3-(phenylsulfamoyl)benzamide

4-chloro-N-pentyl-3-(phenylsulfamoyl)benzamide (PubChem CID 126415696) has the molecular formula C18H21ClN2O3S and a molecular weight of 380.90 g/mol. Its IUPAC name is 4-chloro-N-pentyl-3-(phenylsulfamoyl)benzamide.

Molecular Properties

Compound Name4-chloro-N-pentyl-3-(phenylsulfamoyl)benzamide
PubChem CID126415696
Molecular FormulaC18H21ClN2O3S
Molecular Weight380.90 g/mol
Exact Mass380.10
IUPAC Name4-chloro-N-pentyl-3-(phenylsulfamoyl)benzamide
SMILESCCCCCNC(=O)c1ccc(Cl)c(S(=O)(=O)Nc2ccccc2)c1
InChIInChI=1S/C18H21ClN2O3S/c1-2-3-7-12-20-18(22)14-10-11-16(19)17(13-14)25(23,24)21-15-8-5-4-6-9-15/h4-6,8-11,13,21H,2-3,7,12H2,1H3,(H,20,22)
InChIKeyGSBDEDBXRZVBPB-UHFFFAOYSA-N
XLogP4.06
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.90
LogP ≤ 54.06
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

3-[(3,4-dichlorophenyl)sulfonylamino]-N-pentylbenzamide
CID 7908049
4-methyl-3-(phenylsulfamoyl)-N-propylbenzamide
CID 126412719
N-hexyl-4-(phenylsulfamoyl)benzamide
CID 32646547
4-chloro-N-[(4-methylphenyl)methyl]-3-(phenylsulfamoyl)benzamide
CID 126414386
4-[(3,4-dichlorophenyl)sulfonylamino]-N-pentylbenzamide
CID 18279871
N-butyl-4-(phenylsulfamoyl)benzamide
CID 18106255
4-chloro-N-(3-ethoxypropyl)-3-[(4-fluorophenyl)sulfamoyl]benzamide
CID 24540699
4-chloro-3-[(4-ethoxyphenyl)sulfamoyl]-N-(3-ethoxypropyl)benzamide
CID 24540698
4-chloro-N-(3-chloro-4-methylphenyl)-3-(phenylsulfamoyl)benzamide
CID 3951767
4-chloro-3-[(3,4-dimethylphenyl)sulfamoyl]-N-(3-methoxypropyl)benzamide
CID 3629479
N-butyl-4-chloro-3-(dimethylsulfamoyl)benzamide
CID 35709594
4-chloro-3-(methanesulfonamido)-N-nonylbenzamide
CID 60604741

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-pentyl-3-(phenylsulfamoyl)benzamide?
The IUPAC name of 4-chloro-N-pentyl-3-(phenylsulfamoyl)benzamide (CID 126415696) is 4-chloro-N-pentyl-3-(phenylsulfamoyl)benzamide.
What is the SMILES notation for 4-chloro-N-pentyl-3-(phenylsulfamoyl)benzamide?
The canonical SMILES for 4-chloro-N-pentyl-3-(phenylsulfamoyl)benzamide is CCCCCNC(=O)c1ccc(Cl)c(S(=O)(=O)Nc2ccccc2)c1.
What is the InChIKey of 4-chloro-N-pentyl-3-(phenylsulfamoyl)benzamide?
The InChIKey is GSBDEDBXRZVBPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21ClN2O3S/c1-2-3-7-12-20-18(22)14-10-11-16(19)17(13-14)25(23,24)21-15-8-5-4-6-9-15/h4-6,8-11,13,21H,2-3,7,12H2,1H3,(H,20,22).
What are the key properties of 4-chloro-N-pentyl-3-(phenylsulfamoyl)benzamide?
4-chloro-N-pentyl-3-(phenylsulfamoyl)benzamide has a molecular weight of 380.90 g/mol, XLogP of 4.06, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-pentyl-3-(phenylsulfamoyl)benzamide is sourced from PubChem (CID 126415696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).