4-[(4-chlorophenyl)sulfonyl-methylamino]-N-(oxolan-2-ylmethyl)benzamide

C19H21ClN2O4S — CID 2972959

IUPAC4-[(4-chlorophenyl)sulfonyl-methylamino]-N-(oxolan-2-ylmethyl)benzamide
SMILESCN(c1ccc(C(=O)NCC2CCCO2)cc1)S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C19H21ClN2O4S/c1-22(27(24,25)18-10-6-15(20)7-11-18)16-8-4-14(5-9-16)19(23)21-13-17-3-2-12-26-17/h4-11,17H,2-3,12-13H2,1H3,(H,21,23)
InChIKeyGUFUVPZGSPVGIT-UHFFFAOYSA-N
MW408.91 g/mol
LogP3.07
Rot. Bonds6

About 4-[(4-chlorophenyl)sulfonyl-methylamino]-N-(oxolan-2-ylmethyl)benzamide

4-[(4-chlorophenyl)sulfonyl-methylamino]-N-(oxolan-2-ylmethyl)benzamide (PubChem CID 2972959) has the molecular formula C19H21ClN2O4S and a molecular weight of 408.91 g/mol. Its IUPAC name is 4-[(4-chlorophenyl)sulfonyl-methylamino]-N-(oxolan-2-ylmethyl)benzamide.

Molecular Properties

Compound Name4-[(4-chlorophenyl)sulfonyl-methylamino]-N-(oxolan-2-ylmethyl)benzamide
PubChem CID2972959
Molecular FormulaC19H21ClN2O4S
Molecular Weight408.91 g/mol
Exact Mass408.09
IUPAC Name4-[(4-chlorophenyl)sulfonyl-methylamino]-N-(oxolan-2-ylmethyl)benzamide
SMILESCN(c1ccc(C(=O)NCC2CCCO2)cc1)S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C19H21ClN2O4S/c1-22(27(24,25)18-10-6-15(20)7-11-18)16-8-4-14(5-9-16)19(23)21-13-17-3-2-12-26-17/h4-11,17H,2-3,12-13H2,1H3,(H,21,23)
InChIKeyGUFUVPZGSPVGIT-UHFFFAOYSA-N
XLogP3.07
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.91
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[(4-chlorophenyl)sulfonyl-methylamino]-N-(oxolan-2-ylmethyl)benzamide?
The IUPAC name of 4-[(4-chlorophenyl)sulfonyl-methylamino]-N-(oxolan-2-ylmethyl)benzamide (CID 2972959) is 4-[(4-chlorophenyl)sulfonyl-methylamino]-N-(oxolan-2-ylmethyl)benzamide.
What is the SMILES notation for 4-[(4-chlorophenyl)sulfonyl-methylamino]-N-(oxolan-2-ylmethyl)benzamide?
The canonical SMILES for 4-[(4-chlorophenyl)sulfonyl-methylamino]-N-(oxolan-2-ylmethyl)benzamide is CN(c1ccc(C(=O)NCC2CCCO2)cc1)S(=O)(=O)c1ccc(Cl)cc1.
What is the InChIKey of 4-[(4-chlorophenyl)sulfonyl-methylamino]-N-(oxolan-2-ylmethyl)benzamide?
The InChIKey is GUFUVPZGSPVGIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClN2O4S/c1-22(27(24,25)18-10-6-15(20)7-11-18)16-8-4-14(5-9-16)19(23)21-13-17-3-2-12-26-17/h4-11,17H,2-3,12-13H2,1H3,(H,21,23).
What are the key properties of 4-[(4-chlorophenyl)sulfonyl-methylamino]-N-(oxolan-2-ylmethyl)benzamide?
4-[(4-chlorophenyl)sulfonyl-methylamino]-N-(oxolan-2-ylmethyl)benzamide has a molecular weight of 408.91 g/mol, XLogP of 3.07, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-chlorophenyl)sulfonyl-methylamino]-N-(oxolan-2-ylmethyl)benzamide is sourced from PubChem (CID 2972959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).