N-(3-chloro-2-methylphenyl)-4-(3-methoxypropylsulfamoyl)benzamide

C18H21ClN2O4S — CID 109059936

IUPACN-(3-chloro-2-methylphenyl)-4-(3-methoxypropylsulfamoyl)benzamide
SMILESCOCCCNS(=O)(=O)c1ccc(C(=O)Nc2cccc(Cl)c2C)cc1
InChIInChI=1S/C18H21ClN2O4S/c1-13-16(19)5-3-6-17(13)21-18(22)14-7-9-15(10-8-14)26(23,24)20-11-4-12-25-2/h3,5-10,20H,4,11-12H2,1-2H3,(H,21,22)
InChIKeyFDQUQMOIKAVVTR-UHFFFAOYSA-N
MW396.90 g/mol
LogP3.22
Rot. Bonds8

About N-(3-chloro-2-methylphenyl)-4-(3-methoxypropylsulfamoyl)benzamide

N-(3-chloro-2-methylphenyl)-4-(3-methoxypropylsulfamoyl)benzamide (PubChem CID 109059936) has the molecular formula C18H21ClN2O4S and a molecular weight of 396.90 g/mol. Its IUPAC name is N-(3-chloro-2-methylphenyl)-4-(3-methoxypropylsulfamoyl)benzamide.

Molecular Properties

Compound NameN-(3-chloro-2-methylphenyl)-4-(3-methoxypropylsulfamoyl)benzamide
PubChem CID109059936
Molecular FormulaC18H21ClN2O4S
Molecular Weight396.90 g/mol
Exact Mass396.09
IUPAC NameN-(3-chloro-2-methylphenyl)-4-(3-methoxypropylsulfamoyl)benzamide
SMILESCOCCCNS(=O)(=O)c1ccc(C(=O)Nc2cccc(Cl)c2C)cc1
InChIInChI=1S/C18H21ClN2O4S/c1-13-16(19)5-3-6-17(13)21-18(22)14-7-9-15(10-8-14)26(23,24)20-11-4-12-25-2/h3,5-10,20H,4,11-12H2,1-2H3,(H,21,22)
InChIKeyFDQUQMOIKAVVTR-UHFFFAOYSA-N
XLogP3.22
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.90
LogP ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(3-chloro-2-methylphenyl)-4-[2-(dimethylamino)ethylsulfamoyl]benzamide
CID 109060186
N-(2-chlorophenyl)-4-(pentylsulfamoyl)benzamide
CID 109061392
N-(2,4-difluorophenyl)-4-(3-methoxypropylsulfamoyl)benzamide
CID 109059952
N-(3-chloro-2-methylphenyl)-4-[(4-methylphenyl)sulfamoyl]benzamide
CID 9414091
N-(3-chloro-2-morpholin-4-ylphenyl)-4-(2-methoxyethylsulfamoyl)benzamide
CID 24614283
4-[[2-(3-chloro-2-methylanilino)-2-oxoethyl]amino]-N-(3-methoxypropyl)benzamide
CID 54835595
3-benzamido-N-[4-(3-methoxypropylsulfamoyl)phenyl]benzamide
CID 3331259
N-(3-chloro-4-methylphenyl)-4-(2-methoxyethylsulfamoyl)benzamide
CID 17485467
N-(3-chloro-2-methylphenyl)-3-[(4-fluorophenyl)sulfonylamino]propanamide
CID 17192157
N-(3-chloro-2-methylphenyl)-2-[(4-methylphenyl)sulfonylamino]acetamide
CID 21383212
4-(cyclopropanecarbonyl)-N-(3-methoxypropyl)benzenesulfonamide
CID 82165049
4-(azepan-1-ylsulfonyl)-N-(3-chloro-2-methylphenyl)benzamide
CID 1428600

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-2-methylphenyl)-4-(3-methoxypropylsulfamoyl)benzamide?
The IUPAC name of N-(3-chloro-2-methylphenyl)-4-(3-methoxypropylsulfamoyl)benzamide (CID 109059936) is N-(3-chloro-2-methylphenyl)-4-(3-methoxypropylsulfamoyl)benzamide.
What is the SMILES notation for N-(3-chloro-2-methylphenyl)-4-(3-methoxypropylsulfamoyl)benzamide?
The canonical SMILES for N-(3-chloro-2-methylphenyl)-4-(3-methoxypropylsulfamoyl)benzamide is COCCCNS(=O)(=O)c1ccc(C(=O)Nc2cccc(Cl)c2C)cc1.
What is the InChIKey of N-(3-chloro-2-methylphenyl)-4-(3-methoxypropylsulfamoyl)benzamide?
The InChIKey is FDQUQMOIKAVVTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21ClN2O4S/c1-13-16(19)5-3-6-17(13)21-18(22)14-7-9-15(10-8-14)26(23,24)20-11-4-12-25-2/h3,5-10,20H,4,11-12H2,1-2H3,(H,21,22).
What are the key properties of N-(3-chloro-2-methylphenyl)-4-(3-methoxypropylsulfamoyl)benzamide?
N-(3-chloro-2-methylphenyl)-4-(3-methoxypropylsulfamoyl)benzamide has a molecular weight of 396.90 g/mol, XLogP of 3.22, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-2-methylphenyl)-4-(3-methoxypropylsulfamoyl)benzamide is sourced from PubChem (CID 109059936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).