5-(benzenesulfonamido)-2-chloro-N-(3-methylbutyl)benzamide

C18H21ClN2O3S — CID 92673529

IUPAC5-(benzenesulfonamido)-2-chloro-N-(3-methylbutyl)benzamide
SMILESCC(C)CCNC(=O)c1cc(NS(=O)(=O)c2ccccc2)ccc1Cl
InChIInChI=1S/C18H21ClN2O3S/c1-13(2)10-11-20-18(22)16-12-14(8-9-17(16)19)21-25(23,24)15-6-4-3-5-7-15/h3-9,12-13,21H,10-11H2,1-2H3,(H,20,22)
InChIKeyCDURXIJPHRVBGJ-UHFFFAOYSA-N
MW380.90 g/mol
LogP3.92
Rot. Bonds7

About 5-(benzenesulfonamido)-2-chloro-N-(3-methylbutyl)benzamide

5-(benzenesulfonamido)-2-chloro-N-(3-methylbutyl)benzamide (PubChem CID 92673529) has the molecular formula C18H21ClN2O3S and a molecular weight of 380.90 g/mol. Its IUPAC name is 5-(benzenesulfonamido)-2-chloro-N-(3-methylbutyl)benzamide.

Molecular Properties

Compound Name5-(benzenesulfonamido)-2-chloro-N-(3-methylbutyl)benzamide
PubChem CID92673529
Molecular FormulaC18H21ClN2O3S
Molecular Weight380.90 g/mol
Exact Mass380.10
IUPAC Name5-(benzenesulfonamido)-2-chloro-N-(3-methylbutyl)benzamide
SMILESCC(C)CCNC(=O)c1cc(NS(=O)(=O)c2ccccc2)ccc1Cl
InChIInChI=1S/C18H21ClN2O3S/c1-13(2)10-11-20-18(22)16-12-14(8-9-17(16)19)21-25(23,24)15-6-4-3-5-7-15/h3-9,12-13,21H,10-11H2,1-2H3,(H,20,22)
InChIKeyCDURXIJPHRVBGJ-UHFFFAOYSA-N
XLogP3.92
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.90
LogP ≤ 53.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-(benzenesulfonamido)-N-(2-benzylsulfanylethyl)-2-chlorobenzamide
CID 30400846
4-(benzenesulfonamido)-3-chloro-N-(3-methylbutyl)benzamide
CID 99953455
4-chloro-3-(3-methylbutylcarbamoyl)benzenesulfonyl chloride
CID 65368010
5-(benzenesulfonamido)-2-chloro-N-(2-cyclohexylsulfanylethyl)benzamide
CID 38014027
5-(benzenesulfonamido)-2-chloro-N-(3,5-dimethylphenyl)benzamide
CID 28575633
2-chloro-N-(3-methylbutyl)benzamide
CID 669760
N-(3-methylbutyl)-3-[(4-propan-2-ylphenyl)sulfamoyl]benzamide
CID 109065328
5-(benzenesulfonamido)-2-(dimethylamino)-N-(2-methylpropyl)benzamide
CID 42748003
5-(benzenesulfonamido)-2-chloro-N-[(S)-(4-methylphenyl)-phenylmethyl]benzamide
CID 30390651
5-(benzenesulfonamido)-2-chloro-N-(3-methylphenyl)benzamide
CID 99954577
2-chloro-5-(methanesulfonamido)-N-(2-phenylpropyl)benzamide
CID 133239711
5-(benzenesulfonamido)-2-chloro-N-[(2S)-1-(4-methoxyphenoxy)propan-2-yl]benzamide
CID 92647091

Frequently Asked Questions

What is the IUPAC name of 5-(benzenesulfonamido)-2-chloro-N-(3-methylbutyl)benzamide?
The IUPAC name of 5-(benzenesulfonamido)-2-chloro-N-(3-methylbutyl)benzamide (CID 92673529) is 5-(benzenesulfonamido)-2-chloro-N-(3-methylbutyl)benzamide.
What is the SMILES notation for 5-(benzenesulfonamido)-2-chloro-N-(3-methylbutyl)benzamide?
The canonical SMILES for 5-(benzenesulfonamido)-2-chloro-N-(3-methylbutyl)benzamide is CC(C)CCNC(=O)c1cc(NS(=O)(=O)c2ccccc2)ccc1Cl.
What is the InChIKey of 5-(benzenesulfonamido)-2-chloro-N-(3-methylbutyl)benzamide?
The InChIKey is CDURXIJPHRVBGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21ClN2O3S/c1-13(2)10-11-20-18(22)16-12-14(8-9-17(16)19)21-25(23,24)15-6-4-3-5-7-15/h3-9,12-13,21H,10-11H2,1-2H3,(H,20,22).
What are the key properties of 5-(benzenesulfonamido)-2-chloro-N-(3-methylbutyl)benzamide?
5-(benzenesulfonamido)-2-chloro-N-(3-methylbutyl)benzamide has a molecular weight of 380.90 g/mol, XLogP of 3.92, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(benzenesulfonamido)-2-chloro-N-(3-methylbutyl)benzamide is sourced from PubChem (CID 92673529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).