5-chloro-N-(2,3-dimethylbutyl)-2-methyl-3-sulfamoylbenzamide

C14H21ClN2O3S — CID 82879168

IUPAC5-chloro-N-(2,3-dimethylbutyl)-2-methyl-3-sulfamoylbenzamide
SMILESCc1c(C(=O)NCC(C)C(C)C)cc(Cl)cc1S(N)(=O)=O
InChIInChI=1S/C14H21ClN2O3S/c1-8(2)9(3)7-17-14(18)12-5-11(15)6-13(10(12)4)21(16,19)20/h5-6,8-9H,7H2,1-4H3,(H,17,18)(H2,16,19,20)
InChIKeyQUPOGUPIAWCWEO-UHFFFAOYSA-N
MW332.85 g/mol
LogP2.32
Rot. Bonds5

About 5-chloro-N-(2,3-dimethylbutyl)-2-methyl-3-sulfamoylbenzamide

5-chloro-N-(2,3-dimethylbutyl)-2-methyl-3-sulfamoylbenzamide (PubChem CID 82879168) has the molecular formula C14H21ClN2O3S and a molecular weight of 332.85 g/mol. Its IUPAC name is 5-chloro-N-(2,3-dimethylbutyl)-2-methyl-3-sulfamoylbenzamide.

Molecular Properties

Compound Name5-chloro-N-(2,3-dimethylbutyl)-2-methyl-3-sulfamoylbenzamide
PubChem CID82879168
Molecular FormulaC14H21ClN2O3S
Molecular Weight332.85 g/mol
Exact Mass332.10
IUPAC Name5-chloro-N-(2,3-dimethylbutyl)-2-methyl-3-sulfamoylbenzamide
SMILESCc1c(C(=O)NCC(C)C(C)C)cc(Cl)cc1S(N)(=O)=O
InChIInChI=1S/C14H21ClN2O3S/c1-8(2)9(3)7-17-14(18)12-5-11(15)6-13(10(12)4)21(16,19)20/h5-6,8-9H,7H2,1-4H3,(H,17,18)(H2,16,19,20)
InChIKeyQUPOGUPIAWCWEO-UHFFFAOYSA-N
XLogP2.32
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.85
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2,5-dichloro-3-(2,3-dimethylbutylcarbamoyl)benzenesulfonyl chloride
CID 65396321
5-chloro-N-(cyclopropylmethyl)-2-methyl-3-sulfamoylbenzamide
CID 82890908
5-chloro-N-(2-methoxy-2-methylpropyl)-2-methyl-3-sulfamoylbenzamide
CID 104766748
5-bromo-3-(2,3-dimethylbutylcarbamoyl)-2-methylbenzenesulfonyl chloride
CID 65396511
5-bromo-2-methyl-N-(2-methylpropyl)-3-sulfamoylbenzamide
CID 65375575
5-chloro-2-methyl-N-propan-2-yl-N-propyl-3-sulfamoylbenzamide
CID 82878197
5-chloro-N-cyclopropyl-2-methyl-3-sulfamoylbenzamide
CID 82891438
5-chloro-N-(2,2-difluoroethyl)-2-methoxy-3-sulfamoylbenzamide
CID 115408938
5-chloro-2-methyl-N-(3-methylcyclopentyl)-3-sulfamoylbenzamide
CID 114551529
N-(2,3-dimethylbutyl)-4-ethyl-3-sulfamoylbenzamide
CID 65379984
2,5-dichloro-N-(2-propan-2-yloxyethyl)-3-sulfamoylbenzamide
CID 104766713
N-butyl-5-chloro-N,2-dimethyl-3-sulfamoylbenzamide
CID 82890834

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(2,3-dimethylbutyl)-2-methyl-3-sulfamoylbenzamide?
The IUPAC name of 5-chloro-N-(2,3-dimethylbutyl)-2-methyl-3-sulfamoylbenzamide (CID 82879168) is 5-chloro-N-(2,3-dimethylbutyl)-2-methyl-3-sulfamoylbenzamide.
What is the SMILES notation for 5-chloro-N-(2,3-dimethylbutyl)-2-methyl-3-sulfamoylbenzamide?
The canonical SMILES for 5-chloro-N-(2,3-dimethylbutyl)-2-methyl-3-sulfamoylbenzamide is Cc1c(C(=O)NCC(C)C(C)C)cc(Cl)cc1S(N)(=O)=O.
What is the InChIKey of 5-chloro-N-(2,3-dimethylbutyl)-2-methyl-3-sulfamoylbenzamide?
The InChIKey is QUPOGUPIAWCWEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClN2O3S/c1-8(2)9(3)7-17-14(18)12-5-11(15)6-13(10(12)4)21(16,19)20/h5-6,8-9H,7H2,1-4H3,(H,17,18)(H2,16,19,20).
What are the key properties of 5-chloro-N-(2,3-dimethylbutyl)-2-methyl-3-sulfamoylbenzamide?
5-chloro-N-(2,3-dimethylbutyl)-2-methyl-3-sulfamoylbenzamide has a molecular weight of 332.85 g/mol, XLogP of 2.32, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(2,3-dimethylbutyl)-2-methyl-3-sulfamoylbenzamide is sourced from PubChem (CID 82879168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).