N-(5-chloro-2-methylphenyl)-4-(1-methoxypropan-2-ylsulfamoyl)benzamide

C18H21ClN2O4S — CID 42910827

IUPACN-(5-chloro-2-methylphenyl)-4-(1-methoxypropan-2-ylsulfamoyl)benzamide
SMILESCOCC(C)NS(=O)(=O)c1ccc(C(=O)Nc2cc(Cl)ccc2C)cc1
InChIInChI=1S/C18H21ClN2O4S/c1-12-4-7-15(19)10-17(12)20-18(22)14-5-8-16(9-6-14)26(23,24)21-13(2)11-25-3/h4-10,13,21H,11H2,1-3H3,(H,20,22)
InChIKeyDIHBWWDGHATVIZ-UHFFFAOYSA-N
MW396.90 g/mol
LogP3.21
Rot. Bonds7

About N-(5-chloro-2-methylphenyl)-4-(1-methoxypropan-2-ylsulfamoyl)benzamide

N-(5-chloro-2-methylphenyl)-4-(1-methoxypropan-2-ylsulfamoyl)benzamide (PubChem CID 42910827) has the molecular formula C18H21ClN2O4S and a molecular weight of 396.90 g/mol. Its IUPAC name is N-(5-chloro-2-methylphenyl)-4-(1-methoxypropan-2-ylsulfamoyl)benzamide.

Molecular Properties

Compound NameN-(5-chloro-2-methylphenyl)-4-(1-methoxypropan-2-ylsulfamoyl)benzamide
PubChem CID42910827
Molecular FormulaC18H21ClN2O4S
Molecular Weight396.90 g/mol
Exact Mass396.09
IUPAC NameN-(5-chloro-2-methylphenyl)-4-(1-methoxypropan-2-ylsulfamoyl)benzamide
SMILESCOCC(C)NS(=O)(=O)c1ccc(C(=O)Nc2cc(Cl)ccc2C)cc1
InChIInChI=1S/C18H21ClN2O4S/c1-12-4-7-15(19)10-17(12)20-18(22)14-5-8-16(9-6-14)26(23,24)21-13(2)11-25-3/h4-10,13,21H,11H2,1-3H3,(H,20,22)
InChIKeyDIHBWWDGHATVIZ-UHFFFAOYSA-N
XLogP3.21
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.90
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(5-fluoro-2-methylphenyl)-4-[[(2S)-1-methoxypropan-2-yl]sulfamoyl]benzamide
CID 9211744
N-(2,3-dimethylphenyl)-4-[[(2S)-1-methoxypropan-2-yl]sulfamoyl]benzamide
CID 9342410
N-(3-chloro-4-fluorophenyl)-4-[[(2R)-1-methoxypropan-2-yl]sulfamoyl]benzamide
CID 9165962
N-[(1R)-1-(4-chlorophenyl)ethyl]-4-[[(2R)-1-methoxypropan-2-yl]sulfamoyl]benzamide
CID 9218502
N-[(1S)-1-(4-chlorophenyl)ethyl]-4-[[(2S)-1-methoxypropan-2-yl]sulfamoyl]benzamide
CID 9218496
4-(tert-butylsulfamoyl)-N-(5-chloro-2-methylphenyl)benzamide
CID 29411178
N-(5-chloro-2-methylphenyl)-4-(difluoromethylsulfonyl)benzamide
CID 8502246
4-(1-methoxypropan-2-ylsulfamoyl)-N-(4-sulfamoylphenyl)benzamide
CID 42909880
2-[4-[[(2R)-butan-2-yl]sulfamoyl]phenoxy]-N-(5-chloro-2-methylphenyl)acetamide
CID 126203239
6-chloro-N-[4-[[(2S)-1-methoxypropan-2-yl]sulfamoyl]phenyl]pyridine-3-carboxamide
CID 2547899
4-[[(2R)-1-methoxypropan-2-yl]sulfamoyl]-N-(4-propylphenyl)benzamide
CID 9294142
N-(4-chloro-2-methylphenyl)-4-(3-methylbutylsulfamoyl)benzamide
CID 109061303

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-methylphenyl)-4-(1-methoxypropan-2-ylsulfamoyl)benzamide?
The IUPAC name of N-(5-chloro-2-methylphenyl)-4-(1-methoxypropan-2-ylsulfamoyl)benzamide (CID 42910827) is N-(5-chloro-2-methylphenyl)-4-(1-methoxypropan-2-ylsulfamoyl)benzamide.
What is the SMILES notation for N-(5-chloro-2-methylphenyl)-4-(1-methoxypropan-2-ylsulfamoyl)benzamide?
The canonical SMILES for N-(5-chloro-2-methylphenyl)-4-(1-methoxypropan-2-ylsulfamoyl)benzamide is COCC(C)NS(=O)(=O)c1ccc(C(=O)Nc2cc(Cl)ccc2C)cc1.
What is the InChIKey of N-(5-chloro-2-methylphenyl)-4-(1-methoxypropan-2-ylsulfamoyl)benzamide?
The InChIKey is DIHBWWDGHATVIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21ClN2O4S/c1-12-4-7-15(19)10-17(12)20-18(22)14-5-8-16(9-6-14)26(23,24)21-13(2)11-25-3/h4-10,13,21H,11H2,1-3H3,(H,20,22).
What are the key properties of N-(5-chloro-2-methylphenyl)-4-(1-methoxypropan-2-ylsulfamoyl)benzamide?
N-(5-chloro-2-methylphenyl)-4-(1-methoxypropan-2-ylsulfamoyl)benzamide has a molecular weight of 396.90 g/mol, XLogP of 3.21, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-methylphenyl)-4-(1-methoxypropan-2-ylsulfamoyl)benzamide is sourced from PubChem (CID 42910827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).