4-[[N-(benzenesulfonyl)anilino]methyl]-N-cyclopropylbenzamide

C23H22N2O3S — CID 1252922

IUPAC4-[[N-(benzenesulfonyl)anilino]methyl]-N-cyclopropylbenzamide
SMILESO=C(NC1CC1)c1ccc(CN(c2ccccc2)S(=O)(=O)c2ccccc2)cc1
InChIInChI=1S/C23H22N2O3S/c26-23(24-20-15-16-20)19-13-11-18(12-14-19)17-25(21-7-3-1-4-8-21)29(27,28)22-9-5-2-6-10-22/h1-14,20H,15-17H2,(H,24,26)
InChIKeyWUMMINNVIGAGRH-UHFFFAOYSA-N
MW406.51 g/mol
LogP3.97
Rot. Bonds7

About 4-[[N-(benzenesulfonyl)anilino]methyl]-N-cyclopropylbenzamide

4-[[N-(benzenesulfonyl)anilino]methyl]-N-cyclopropylbenzamide (PubChem CID 1252922) has the molecular formula C23H22N2O3S and a molecular weight of 406.51 g/mol. Its IUPAC name is 4-[[N-(benzenesulfonyl)anilino]methyl]-N-cyclopropylbenzamide.

Molecular Properties

Compound Name4-[[N-(benzenesulfonyl)anilino]methyl]-N-cyclopropylbenzamide
PubChem CID1252922
Molecular FormulaC23H22N2O3S
Molecular Weight406.51 g/mol
Exact Mass406.14
IUPAC Name4-[[N-(benzenesulfonyl)anilino]methyl]-N-cyclopropylbenzamide
SMILESO=C(NC1CC1)c1ccc(CN(c2ccccc2)S(=O)(=O)c2ccccc2)cc1
InChIInChI=1S/C23H22N2O3S/c26-23(24-20-15-16-20)19-13-11-18(12-14-19)17-25(21-7-3-1-4-8-21)29(27,28)22-9-5-2-6-10-22/h1-14,20H,15-17H2,(H,24,26)
InChIKeyWUMMINNVIGAGRH-UHFFFAOYSA-N
XLogP3.97
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.51
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 2361079
N-[[4-(benzenesulfonamidomethyl)phenyl]methyl]benzamide
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N-[4-(4-morpholinylsulfonyl)phenyl]benzamide
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Frequently Asked Questions

What is the IUPAC name of 4-[[N-(benzenesulfonyl)anilino]methyl]-N-cyclopropylbenzamide?
The IUPAC name of 4-[[N-(benzenesulfonyl)anilino]methyl]-N-cyclopropylbenzamide (CID 1252922) is 4-[[N-(benzenesulfonyl)anilino]methyl]-N-cyclopropylbenzamide.
What is the SMILES notation for 4-[[N-(benzenesulfonyl)anilino]methyl]-N-cyclopropylbenzamide?
The canonical SMILES for 4-[[N-(benzenesulfonyl)anilino]methyl]-N-cyclopropylbenzamide is O=C(NC1CC1)c1ccc(CN(c2ccccc2)S(=O)(=O)c2ccccc2)cc1.
What is the InChIKey of 4-[[N-(benzenesulfonyl)anilino]methyl]-N-cyclopropylbenzamide?
The InChIKey is WUMMINNVIGAGRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N2O3S/c26-23(24-20-15-16-20)19-13-11-18(12-14-19)17-25(21-7-3-1-4-8-21)29(27,28)22-9-5-2-6-10-22/h1-14,20H,15-17H2,(H,24,26).
What are the key properties of 4-[[N-(benzenesulfonyl)anilino]methyl]-N-cyclopropylbenzamide?
4-[[N-(benzenesulfonyl)anilino]methyl]-N-cyclopropylbenzamide has a molecular weight of 406.51 g/mol, XLogP of 3.97, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[N-(benzenesulfonyl)anilino]methyl]-N-cyclopropylbenzamide is sourced from PubChem (CID 1252922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).