2-(butylsulfonylamino)-N-[(4-chlorophenyl)methyl]-5-methylbenzamide

C19H23ClN2O3S — CID 10294067

IUPAC2-(butylsulfonylamino)-N-[(4-chlorophenyl)methyl]-5-methylbenzamide
SMILESCCCCS(=O)(=O)Nc1ccc(C)cc1C(=O)NCc1ccc(Cl)cc1
InChIInChI=1S/C19H23ClN2O3S/c1-3-4-11-26(24,25)22-18-10-5-14(2)12-17(18)19(23)21-13-15-6-8-16(20)9-7-15/h5-10,12,22H,3-4,11,13H2,1-2H3,(H,21,23)
InChIKeyQUYNIJYOBZQISU-UHFFFAOYSA-N
MW394.92 g/mol
LogP4.12
Rot. Bonds8

About 2-(butylsulfonylamino)-N-[(4-chlorophenyl)methyl]-5-methylbenzamide

2-(butylsulfonylamino)-N-[(4-chlorophenyl)methyl]-5-methylbenzamide (PubChem CID 10294067) has the molecular formula C19H23ClN2O3S and a molecular weight of 394.92 g/mol. Its IUPAC name is 2-(butylsulfonylamino)-N-[(4-chlorophenyl)methyl]-5-methylbenzamide.

Molecular Properties

Compound Name2-(butylsulfonylamino)-N-[(4-chlorophenyl)methyl]-5-methylbenzamide
PubChem CID10294067
Molecular FormulaC19H23ClN2O3S
Molecular Weight394.92 g/mol
Exact Mass394.11
IUPAC Name2-(butylsulfonylamino)-N-[(4-chlorophenyl)methyl]-5-methylbenzamide
SMILESCCCCS(=O)(=O)Nc1ccc(C)cc1C(=O)NCc1ccc(Cl)cc1
InChIInChI=1S/C19H23ClN2O3S/c1-3-4-11-26(24,25)22-18-10-5-14(2)12-17(18)19(23)21-13-15-6-8-16(20)9-7-15/h5-10,12,22H,3-4,11,13H2,1-2H3,(H,21,23)
InChIKeyQUYNIJYOBZQISU-UHFFFAOYSA-N
XLogP4.12
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.92
LogP ≤ 54.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4-chlorophenyl)methyl]-2-hydroxy-4-methylbenzamide
CID 25243582
N-(4-chloro-2-hydroxyphenyl)butane-1-sulfonamide
CID 81434097
[2-(butylcarbamoyl)-4-methylphenyl]sulfamic acid
CID 54130469
N-(2,4-dichlorophenyl)butane-1-sulfonamide
CID 110757016
5-(4-chlorophenyl)-2-(octylsulfonylamino)benzoic acid
CID 44608762
N-(5-chloro-2-methylphenyl)butane-1-sulfonamide
CID 6466028
N-[(4-chlorophenyl)methyl]-2-(propylsulfonylamino)acetamide
CID 110285291
N-[[4-(chloromethyl)phenyl]methyl]-2-fluoro-4-methylbenzamide
CID 107233356
2-hydrazinyl-N-[(4-methoxyphenyl)methyl]-5-methylbenzamide
CID 62510796
2-[(4-chlorophenyl)methylsulfonylamino]-N-propylbenzamide
CID 17321566
N-[(4-chlorophenyl)methyl]-3-methylbenzamide
CID 966012
N-(2-chloro-4-hydroxyphenyl)butane-1-sulfonamide
CID 64788344

Frequently Asked Questions

What is the IUPAC name of 2-(butylsulfonylamino)-N-[(4-chlorophenyl)methyl]-5-methylbenzamide?
The IUPAC name of 2-(butylsulfonylamino)-N-[(4-chlorophenyl)methyl]-5-methylbenzamide (CID 10294067) is 2-(butylsulfonylamino)-N-[(4-chlorophenyl)methyl]-5-methylbenzamide.
What is the SMILES notation for 2-(butylsulfonylamino)-N-[(4-chlorophenyl)methyl]-5-methylbenzamide?
The canonical SMILES for 2-(butylsulfonylamino)-N-[(4-chlorophenyl)methyl]-5-methylbenzamide is CCCCS(=O)(=O)Nc1ccc(C)cc1C(=O)NCc1ccc(Cl)cc1.
What is the InChIKey of 2-(butylsulfonylamino)-N-[(4-chlorophenyl)methyl]-5-methylbenzamide?
The InChIKey is QUYNIJYOBZQISU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23ClN2O3S/c1-3-4-11-26(24,25)22-18-10-5-14(2)12-17(18)19(23)21-13-15-6-8-16(20)9-7-15/h5-10,12,22H,3-4,11,13H2,1-2H3,(H,21,23).
What are the key properties of 2-(butylsulfonylamino)-N-[(4-chlorophenyl)methyl]-5-methylbenzamide?
2-(butylsulfonylamino)-N-[(4-chlorophenyl)methyl]-5-methylbenzamide has a molecular weight of 394.92 g/mol, XLogP of 4.12, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(butylsulfonylamino)-N-[(4-chlorophenyl)methyl]-5-methylbenzamide is sourced from PubChem (CID 10294067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).