4-(tert-butylsulfamoyl)-N-(5-chloro-2-methylphenyl)benzamide

C18H21ClN2O3S — CID 29411178

IUPAC4-(tert-butylsulfamoyl)-N-(5-chloro-2-methylphenyl)benzamide
SMILESCc1ccc(Cl)cc1NC(=O)c1ccc(S(=O)(=O)NC(C)(C)C)cc1
InChIInChI=1S/C18H21ClN2O3S/c1-12-5-8-14(19)11-16(12)20-17(22)13-6-9-15(10-7-13)25(23,24)21-18(2,3)4/h5-11,21H,1-4H3,(H,20,22)
InChIKeyLLUHFMVEDAFTLH-UHFFFAOYSA-N
MW380.90 g/mol
LogP3.98
Rot. Bonds4

About 4-(tert-butylsulfamoyl)-N-(5-chloro-2-methylphenyl)benzamide

4-(tert-butylsulfamoyl)-N-(5-chloro-2-methylphenyl)benzamide (PubChem CID 29411178) has the molecular formula C18H21ClN2O3S and a molecular weight of 380.90 g/mol. Its IUPAC name is 4-(tert-butylsulfamoyl)-N-(5-chloro-2-methylphenyl)benzamide.

Molecular Properties

Compound Name4-(tert-butylsulfamoyl)-N-(5-chloro-2-methylphenyl)benzamide
PubChem CID29411178
Molecular FormulaC18H21ClN2O3S
Molecular Weight380.90 g/mol
Exact Mass380.10
IUPAC Name4-(tert-butylsulfamoyl)-N-(5-chloro-2-methylphenyl)benzamide
SMILESCc1ccc(Cl)cc1NC(=O)c1ccc(S(=O)(=O)NC(C)(C)C)cc1
InChIInChI=1S/C18H21ClN2O3S/c1-12-5-8-14(19)11-16(12)20-17(22)13-6-9-15(10-7-13)25(23,24)21-18(2,3)4/h5-11,21H,1-4H3,(H,20,22)
InChIKeyLLUHFMVEDAFTLH-UHFFFAOYSA-N
XLogP3.98
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
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

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Related Compounds

4-[(5-chloro-2-methylphenyl)carbamoyl]benzoic acid
CID 43386540
N-(5-chloro-2-methylphenyl)-4-(difluoromethylsulfonyl)benzamide
CID 8502246
N-(5-chloro-2-methylphenyl)-4-(1-methoxypropan-2-ylsulfamoyl)benzamide
CID 42910827
N-(5-chloro-2-methylphenyl)-3-(methanesulfonamido)-4-methylbenzamide
CID 41453282
4-(tert-butylsulfamoyl)-N-(2,6-dimethylphenyl)benzamide
CID 51310180
N-(5-chloro-2-methylphenyl)-4-(ethylamino)benzamide
CID 62185728
N-(3-acetamido-4-fluorophenyl)-4-(tert-butylsulfamoyl)benzamide
CID 46603735
5-(tert-butylsulfamoyl)-N-[5-chloro-2-(pyrrolidine-1-carbonyl)phenyl]-2-methylbenzamide
CID 55727057
N-(5-chloro-2-methylphenyl)-4-[(4-methoxyphenyl)sulfonyl-methylamino]benzamide
CID 1255251
3-[(4-tert-butylphenyl)sulfonylamino]-N-(5-chloro-2-methylphenyl)propanamide
CID 9403064
N-(5-chloro-2-methylphenyl)-3,5-dimethylbenzamide
CID 918666
N-(5-chloro-2-methylphenyl)-4-(trifluoromethoxy)benzamide
CID 2107466

Frequently Asked Questions

What is the IUPAC name of 4-(tert-butylsulfamoyl)-N-(5-chloro-2-methylphenyl)benzamide?
The IUPAC name of 4-(tert-butylsulfamoyl)-N-(5-chloro-2-methylphenyl)benzamide (CID 29411178) is 4-(tert-butylsulfamoyl)-N-(5-chloro-2-methylphenyl)benzamide.
What is the SMILES notation for 4-(tert-butylsulfamoyl)-N-(5-chloro-2-methylphenyl)benzamide?
The canonical SMILES for 4-(tert-butylsulfamoyl)-N-(5-chloro-2-methylphenyl)benzamide is Cc1ccc(Cl)cc1NC(=O)c1ccc(S(=O)(=O)NC(C)(C)C)cc1.
What is the InChIKey of 4-(tert-butylsulfamoyl)-N-(5-chloro-2-methylphenyl)benzamide?
The InChIKey is LLUHFMVEDAFTLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21ClN2O3S/c1-12-5-8-14(19)11-16(12)20-17(22)13-6-9-15(10-7-13)25(23,24)21-18(2,3)4/h5-11,21H,1-4H3,(H,20,22).
What are the key properties of 4-(tert-butylsulfamoyl)-N-(5-chloro-2-methylphenyl)benzamide?
4-(tert-butylsulfamoyl)-N-(5-chloro-2-methylphenyl)benzamide has a molecular weight of 380.90 g/mol, XLogP of 3.98, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(tert-butylsulfamoyl)-N-(5-chloro-2-methylphenyl)benzamide is sourced from PubChem (CID 29411178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).