3-chloro-N-(3-methylbutyl)-4-[(4-methylphenyl)sulfonylamino]benzamide

C19H23ClN2O3S — CID 28632726

IUPAC3-chloro-N-(3-methylbutyl)-4-[(4-methylphenyl)sulfonylamino]benzamide
SMILESCc1ccc(S(=O)(=O)Nc2ccc(C(=O)NCCC(C)C)cc2Cl)cc1
InChIInChI=1S/C19H23ClN2O3S/c1-13(2)10-11-21-19(23)15-6-9-18(17(20)12-15)22-26(24,25)16-7-4-14(3)5-8-16/h4-9,12-13,22H,10-11H2,1-3H3,(H,21,23)
InChIKeySSMMOUSUHXCKGP-UHFFFAOYSA-N
MW394.92 g/mol
LogP4.23
Rot. Bonds7

About 3-chloro-N-(3-methylbutyl)-4-[(4-methylphenyl)sulfonylamino]benzamide

3-chloro-N-(3-methylbutyl)-4-[(4-methylphenyl)sulfonylamino]benzamide (PubChem CID 28632726) has the molecular formula C19H23ClN2O3S and a molecular weight of 394.92 g/mol. Its IUPAC name is 3-chloro-N-(3-methylbutyl)-4-[(4-methylphenyl)sulfonylamino]benzamide.

Molecular Properties

Compound Name3-chloro-N-(3-methylbutyl)-4-[(4-methylphenyl)sulfonylamino]benzamide
PubChem CID28632726
Molecular FormulaC19H23ClN2O3S
Molecular Weight394.92 g/mol
Exact Mass394.11
IUPAC Name3-chloro-N-(3-methylbutyl)-4-[(4-methylphenyl)sulfonylamino]benzamide
SMILESCc1ccc(S(=O)(=O)Nc2ccc(C(=O)NCCC(C)C)cc2Cl)cc1
InChIInChI=1S/C19H23ClN2O3S/c1-13(2)10-11-21-19(23)15-6-9-18(17(20)12-15)22-26(24,25)16-7-4-14(3)5-8-16/h4-9,12-13,22H,10-11H2,1-3H3,(H,21,23)
InChIKeySSMMOUSUHXCKGP-UHFFFAOYSA-N
XLogP4.23
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.92
LogP ≤ 54.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(benzenesulfonamido)-3-chloro-N-(3-methylbutyl)benzamide
CID 99953455
N-butyl-3-chloro-4-[(4-methylphenyl)sulfonylamino]benzamide
CID 99950233
3-chloro-N-[2-(4-methylphenoxy)ethyl]-4-[(4-methylphenyl)sulfonylamino]benzamide
CID 46770016
3-chloro-4-[(4-methylphenyl)sulfonylamino]-N-pentan-2-ylbenzamide
CID 43877132
3-chloro-N-[2-[(4-chlorophenyl)methylsulfanyl]ethyl]-4-[(4-methylphenyl)sulfonylamino]benzamide
CID 43908652
3-chloro-4-[(4-methylphenyl)sulfonylamino]-N-(4-phenylbutan-2-yl)benzamide
CID 43916618
3-chloro-N-[(1R)-1-(4-methylphenyl)propyl]-4-[(4-methylphenyl)sulfonylamino]benzamide
CID 93486433
3-chloro-N-[(1R)-1-(2,4-dimethylphenyl)ethyl]-4-[(4-methylphenyl)sulfonylamino]benzamide
CID 92671799
3-chloro-N-[2-(furan-2-ylmethylsulfanyl)ethyl]-4-[(4-methylphenyl)sulfonylamino]benzamide
CID 92681539
3-chloro-N-[3-(3-methoxyphenyl)propyl]-4-[(4-methylphenyl)sulfonylamino]benzamide
CID 43909714
3-chloro-4-[(4-methylphenyl)sulfonylamino]-N-(2-methylsulfanylphenyl)benzamide
CID 30377748
3-chloro-N-[3-(2-ethylpiperidin-1-yl)propyl]-4-[(4-methylphenyl)sulfonylamino]benzamide
CID 43876108

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-(3-methylbutyl)-4-[(4-methylphenyl)sulfonylamino]benzamide?
The IUPAC name of 3-chloro-N-(3-methylbutyl)-4-[(4-methylphenyl)sulfonylamino]benzamide (CID 28632726) is 3-chloro-N-(3-methylbutyl)-4-[(4-methylphenyl)sulfonylamino]benzamide.
What is the SMILES notation for 3-chloro-N-(3-methylbutyl)-4-[(4-methylphenyl)sulfonylamino]benzamide?
The canonical SMILES for 3-chloro-N-(3-methylbutyl)-4-[(4-methylphenyl)sulfonylamino]benzamide is Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)NCCC(C)C)cc2Cl)cc1.
What is the InChIKey of 3-chloro-N-(3-methylbutyl)-4-[(4-methylphenyl)sulfonylamino]benzamide?
The InChIKey is SSMMOUSUHXCKGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23ClN2O3S/c1-13(2)10-11-21-19(23)15-6-9-18(17(20)12-15)22-26(24,25)16-7-4-14(3)5-8-16/h4-9,12-13,22H,10-11H2,1-3H3,(H,21,23).
What are the key properties of 3-chloro-N-(3-methylbutyl)-4-[(4-methylphenyl)sulfonylamino]benzamide?
3-chloro-N-(3-methylbutyl)-4-[(4-methylphenyl)sulfonylamino]benzamide has a molecular weight of 394.92 g/mol, XLogP of 4.23, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-(3-methylbutyl)-4-[(4-methylphenyl)sulfonylamino]benzamide is sourced from PubChem (CID 28632726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).