N-[3-[(2-chlorophenyl)sulfamoyl]-4-methylphenyl]hexanamide

C19H23ClN2O3S — CID 38019848

IUPACN-[3-[(2-chlorophenyl)sulfamoyl]-4-methylphenyl]hexanamide
SMILESCCCCCC(=O)Nc1ccc(C)c(S(=O)(=O)Nc2ccccc2Cl)c1
InChIInChI=1S/C19H23ClN2O3S/c1-3-4-5-10-19(23)21-15-12-11-14(2)18(13-15)26(24,25)22-17-9-7-6-8-16(17)20/h6-9,11-13,22H,3-5,10H2,1-2H3,(H,21,23)
InChIKeyRKBIYYKOGYSBRV-UHFFFAOYSA-N
MW394.92 g/mol
LogP4.97
Rot. Bonds8

About N-[3-[(2-chlorophenyl)sulfamoyl]-4-methylphenyl]hexanamide

N-[3-[(2-chlorophenyl)sulfamoyl]-4-methylphenyl]hexanamide (PubChem CID 38019848) has the molecular formula C19H23ClN2O3S and a molecular weight of 394.92 g/mol. Its IUPAC name is N-[3-[(2-chlorophenyl)sulfamoyl]-4-methylphenyl]hexanamide.

Molecular Properties

Compound NameN-[3-[(2-chlorophenyl)sulfamoyl]-4-methylphenyl]hexanamide
PubChem CID38019848
Molecular FormulaC19H23ClN2O3S
Molecular Weight394.92 g/mol
Exact Mass394.11
IUPAC NameN-[3-[(2-chlorophenyl)sulfamoyl]-4-methylphenyl]hexanamide
SMILESCCCCCC(=O)Nc1ccc(C)c(S(=O)(=O)Nc2ccccc2Cl)c1
InChIInChI=1S/C19H23ClN2O3S/c1-3-4-5-10-19(23)21-15-12-11-14(2)18(13-15)26(24,25)22-17-9-7-6-8-16(17)20/h6-9,11-13,22H,3-5,10H2,1-2H3,(H,21,23)
InChIKeyRKBIYYKOGYSBRV-UHFFFAOYSA-N
XLogP4.97
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.92
LogP ≤ 54.97
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-[3-[(2-chlorophenyl)sulfamoyl]-4-methylphenyl]-2-methylsulfanylacetamide
CID 9243850
(2R)-N-[3-[(2-chlorophenyl)sulfamoyl]-4-methylphenyl]-2-methylbutanamide
CID 35560710
N-[3-[(2-chlorophenyl)sulfamoyl]-4-methylphenyl]-2-(4-ethyl-2,3-dioxopiperazin-1-yl)acetamide
CID 55787135
N-[3-[(2-chlorophenyl)sulfamoyl]-4-methylphenyl]-3-(1H-indol-3-yl)propanamide
CID 26761049
N',N'-diethyl-N-[3-[(2-fluorophenyl)sulfamoyl]-4-methylphenyl]pentanediamide
CID 56520478
N-(2-chlorophenyl)hexanamide
CID 4644560
N-[3-[[2-(3-chloro-2-methylanilino)acetyl]amino]phenyl]hexanamide
CID 54815058
N-(2-chlorophenyl)octanamide
CID 2292983
N-(3,4-dimethylphenyl)dodecanamide
CID 4067786
3-(2-chlorophenyl)-N-[3-[(2-chlorophenyl)sulfamoyl]-4-methoxyphenyl]propanamide
CID 29436777
N-[3-[(2-fluorophenyl)sulfamoyl]-4-methylphenyl]-4-oxo-4-phenylbutanamide
CID 31474000
N-[4-[[2-(2-chloroanilino)acetyl]amino]phenyl]butanamide
CID 54810199

Frequently Asked Questions

What is the IUPAC name of N-[3-[(2-chlorophenyl)sulfamoyl]-4-methylphenyl]hexanamide?
The IUPAC name of N-[3-[(2-chlorophenyl)sulfamoyl]-4-methylphenyl]hexanamide (CID 38019848) is N-[3-[(2-chlorophenyl)sulfamoyl]-4-methylphenyl]hexanamide.
What is the SMILES notation for N-[3-[(2-chlorophenyl)sulfamoyl]-4-methylphenyl]hexanamide?
The canonical SMILES for N-[3-[(2-chlorophenyl)sulfamoyl]-4-methylphenyl]hexanamide is CCCCCC(=O)Nc1ccc(C)c(S(=O)(=O)Nc2ccccc2Cl)c1.
What is the InChIKey of N-[3-[(2-chlorophenyl)sulfamoyl]-4-methylphenyl]hexanamide?
The InChIKey is RKBIYYKOGYSBRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23ClN2O3S/c1-3-4-5-10-19(23)21-15-12-11-14(2)18(13-15)26(24,25)22-17-9-7-6-8-16(17)20/h6-9,11-13,22H,3-5,10H2,1-2H3,(H,21,23).
What are the key properties of N-[3-[(2-chlorophenyl)sulfamoyl]-4-methylphenyl]hexanamide?
N-[3-[(2-chlorophenyl)sulfamoyl]-4-methylphenyl]hexanamide has a molecular weight of 394.92 g/mol, XLogP of 4.97, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(2-chlorophenyl)sulfamoyl]-4-methylphenyl]hexanamide is sourced from PubChem (CID 38019848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).