N-[3-(azepan-1-ylsulfonyl)phenyl]-3-(4-chlorophenyl)sulfonylpropanamide

C21H25ClN2O5S2 — CID 25163371

IUPACN-[3-(azepan-1-ylsulfonyl)phenyl]-3-(4-chlorophenyl)sulfonylpropanamide
SMILESO=C(CCS(=O)(=O)c1ccc(Cl)cc1)Nc1cccc(S(=O)(=O)N2CCCCCC2)c1
InChIInChI=1S/C21H25ClN2O5S2/c22-17-8-10-19(11-9-17)30(26,27)15-12-21(25)23-18-6-5-7-20(16-18)31(28,29)24-13-3-1-2-4-14-24/h5-11,16H,1-4,12-15H2,(H,23,25)
InChIKeyKNOWQDXDWPXFCZ-UHFFFAOYSA-N
MW485.03 g/mol
LogP3.71
Rot. Bonds7

About N-[3-(azepan-1-ylsulfonyl)phenyl]-3-(4-chlorophenyl)sulfonylpropanamide

N-[3-(azepan-1-ylsulfonyl)phenyl]-3-(4-chlorophenyl)sulfonylpropanamide (PubChem CID 25163371) has the molecular formula C21H25ClN2O5S2 and a molecular weight of 485.03 g/mol. Its IUPAC name is N-[3-(azepan-1-ylsulfonyl)phenyl]-3-(4-chlorophenyl)sulfonylpropanamide.

Molecular Properties

Compound NameN-[3-(azepan-1-ylsulfonyl)phenyl]-3-(4-chlorophenyl)sulfonylpropanamide
PubChem CID25163371
Molecular FormulaC21H25ClN2O5S2
Molecular Weight485.03 g/mol
Exact Mass484.09
IUPAC NameN-[3-(azepan-1-ylsulfonyl)phenyl]-3-(4-chlorophenyl)sulfonylpropanamide
SMILESO=C(CCS(=O)(=O)c1ccc(Cl)cc1)Nc1cccc(S(=O)(=O)N2CCCCCC2)c1
InChIInChI=1S/C21H25ClN2O5S2/c22-17-8-10-19(11-9-17)30(26,27)15-12-21(25)23-18-6-5-7-20(16-18)31(28,29)24-13-3-1-2-4-14-24/h5-11,16H,1-4,12-15H2,(H,23,25)
InChIKeyKNOWQDXDWPXFCZ-UHFFFAOYSA-N
XLogP3.71
TPSA100.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.03
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[3-(azepan-1-ylsulfonyl)phenyl]-3-(4-chlorophenyl)sulfonylpropanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

CID 5021320
CID 5021320
CID 1087191
CID 1087191
CID 2963778
CID 2963778
CID 3525118
CID 3525118
CID 3688338
CID 3688338
CID 4213399
CID 4213399
CID 4237823
CID 4237823
CID 4425333
CID 4425333
CID 4571967
CID 4571967
CID 4780661
CID 4780661
CID 4882743
CID 4882743
CID 20890326
CID 20890326

Frequently Asked Questions

What is the IUPAC name of N-[3-(azepan-1-ylsulfonyl)phenyl]-3-(4-chlorophenyl)sulfonylpropanamide?
The IUPAC name of N-[3-(azepan-1-ylsulfonyl)phenyl]-3-(4-chlorophenyl)sulfonylpropanamide (CID 25163371) is N-[3-(azepan-1-ylsulfonyl)phenyl]-3-(4-chlorophenyl)sulfonylpropanamide.
What is the SMILES notation for N-[3-(azepan-1-ylsulfonyl)phenyl]-3-(4-chlorophenyl)sulfonylpropanamide?
The canonical SMILES for N-[3-(azepan-1-ylsulfonyl)phenyl]-3-(4-chlorophenyl)sulfonylpropanamide is O=C(CCS(=O)(=O)c1ccc(Cl)cc1)Nc1cccc(S(=O)(=O)N2CCCCCC2)c1.
What is the InChIKey of N-[3-(azepan-1-ylsulfonyl)phenyl]-3-(4-chlorophenyl)sulfonylpropanamide?
The InChIKey is KNOWQDXDWPXFCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25ClN2O5S2/c22-17-8-10-19(11-9-17)30(26,27)15-12-21(25)23-18-6-5-7-20(16-18)31(28,29)24-13-3-1-2-4-14-24/h5-11,16H,1-4,12-15H2,(H,23,25).
What are the key properties of N-[3-(azepan-1-ylsulfonyl)phenyl]-3-(4-chlorophenyl)sulfonylpropanamide?
N-[3-(azepan-1-ylsulfonyl)phenyl]-3-(4-chlorophenyl)sulfonylpropanamide has a molecular weight of 485.03 g/mol, XLogP of 3.71, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(azepan-1-ylsulfonyl)phenyl]-3-(4-chlorophenyl)sulfonylpropanamide is sourced from PubChem (CID 25163371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).