4-[[(3-chlorophenyl)sulfonylamino]methyl]-N-cycloheptylbenzamide

C21H25ClN2O3S — CID 45270351

IUPAC4-[[(3-chlorophenyl)sulfonylamino]methyl]-N-cycloheptylbenzamide
SMILESO=C(NC1CCCCCC1)c1ccc(CNS(=O)(=O)c2cccc(Cl)c2)cc1
InChIInChI=1S/C21H25ClN2O3S/c22-18-6-5-9-20(14-18)28(26,27)23-15-16-10-12-17(13-11-16)21(25)24-19-7-3-1-2-4-8-19/h5-6,9-14,19,23H,1-4,7-8,15H2,(H,24,25)
InChIKeyLVWCYWKEBPDQNM-UHFFFAOYSA-N
MW420.96 g/mol
LogP4.27
Rot. Bonds6

About 4-[[(3-chlorophenyl)sulfonylamino]methyl]-N-cycloheptylbenzamide

4-[[(3-chlorophenyl)sulfonylamino]methyl]-N-cycloheptylbenzamide (PubChem CID 45270351) has the molecular formula C21H25ClN2O3S and a molecular weight of 420.96 g/mol. Its IUPAC name is 4-[[(3-chlorophenyl)sulfonylamino]methyl]-N-cycloheptylbenzamide.

Molecular Properties

Compound Name4-[[(3-chlorophenyl)sulfonylamino]methyl]-N-cycloheptylbenzamide
PubChem CID45270351
Molecular FormulaC21H25ClN2O3S
Molecular Weight420.96 g/mol
Exact Mass420.13
IUPAC Name4-[[(3-chlorophenyl)sulfonylamino]methyl]-N-cycloheptylbenzamide
SMILESO=C(NC1CCCCCC1)c1ccc(CNS(=O)(=O)c2cccc(Cl)c2)cc1
InChIInChI=1S/C21H25ClN2O3S/c22-18-6-5-9-20(14-18)28(26,27)23-15-16-10-12-17(13-11-16)21(25)24-19-7-3-1-2-4-8-19/h5-6,9-14,19,23H,1-4,7-8,15H2,(H,24,25)
InChIKeyLVWCYWKEBPDQNM-UHFFFAOYSA-N
XLogP4.27
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.96
LogP ≤ 54.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[[(3-chlorophenyl)sulfonylamino]methyl]-N-cycloheptylbenzamide?
The IUPAC name of 4-[[(3-chlorophenyl)sulfonylamino]methyl]-N-cycloheptylbenzamide (CID 45270351) is 4-[[(3-chlorophenyl)sulfonylamino]methyl]-N-cycloheptylbenzamide.
What is the SMILES notation for 4-[[(3-chlorophenyl)sulfonylamino]methyl]-N-cycloheptylbenzamide?
The canonical SMILES for 4-[[(3-chlorophenyl)sulfonylamino]methyl]-N-cycloheptylbenzamide is O=C(NC1CCCCCC1)c1ccc(CNS(=O)(=O)c2cccc(Cl)c2)cc1.
What is the InChIKey of 4-[[(3-chlorophenyl)sulfonylamino]methyl]-N-cycloheptylbenzamide?
The InChIKey is LVWCYWKEBPDQNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25ClN2O3S/c22-18-6-5-9-20(14-18)28(26,27)23-15-16-10-12-17(13-11-16)21(25)24-19-7-3-1-2-4-8-19/h5-6,9-14,19,23H,1-4,7-8,15H2,(H,24,25).
What are the key properties of 4-[[(3-chlorophenyl)sulfonylamino]methyl]-N-cycloheptylbenzamide?
4-[[(3-chlorophenyl)sulfonylamino]methyl]-N-cycloheptylbenzamide has a molecular weight of 420.96 g/mol, XLogP of 4.27, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(3-chlorophenyl)sulfonylamino]methyl]-N-cycloheptylbenzamide is sourced from PubChem (CID 45270351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).