2-chloro-4-(1,4-oxazepan-4-ylsulfonyl)benzenesulfonamide

C11H15ClN2O5S2 — CID 90672912

IUPAC2-chloro-4-(1,4-oxazepan-4-ylsulfonyl)benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(S(=O)(=O)N2CCCOCC2)cc1Cl
InChIInChI=1S/C11H15ClN2O5S2/c12-10-8-9(2-3-11(10)20(13,15)16)21(17,18)14-4-1-6-19-7-5-14/h2-3,8H,1,4-7H2,(H2,13,15,16)
InChIKeyRHBKOWDTSHSIAZ-UHFFFAOYSA-N
MW354.84 g/mol
LogP0.40
Rot. Bonds3

About 2-chloro-4-(1,4-oxazepan-4-ylsulfonyl)benzenesulfonamide

2-chloro-4-(1,4-oxazepan-4-ylsulfonyl)benzenesulfonamide (PubChem CID 90672912) has the molecular formula C11H15ClN2O5S2 and a molecular weight of 354.84 g/mol. Its IUPAC name is 2-chloro-4-(1,4-oxazepan-4-ylsulfonyl)benzenesulfonamide.

Molecular Properties

Compound Name2-chloro-4-(1,4-oxazepan-4-ylsulfonyl)benzenesulfonamide
PubChem CID90672912
Molecular FormulaC11H15ClN2O5S2
Molecular Weight354.84 g/mol
Exact Mass354.01
IUPAC Name2-chloro-4-(1,4-oxazepan-4-ylsulfonyl)benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(S(=O)(=O)N2CCCOCC2)cc1Cl
InChIInChI=1S/C11H15ClN2O5S2/c12-10-8-9(2-3-11(10)20(13,15)16)21(17,18)14-4-1-6-19-7-5-14/h2-3,8H,1,4-7H2,(H2,13,15,16)
InChIKeyRHBKOWDTSHSIAZ-UHFFFAOYSA-N
XLogP0.40
TPSA106.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.84
LogP ≤ 50.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-chloro-4-(1,4-oxazepan-4-ylsulfonyl)benzenesulfonamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-(1,4-oxazepan-4-ylsulfonyl)benzenesulfonamide?
The IUPAC name of 2-chloro-4-(1,4-oxazepan-4-ylsulfonyl)benzenesulfonamide (CID 90672912) is 2-chloro-4-(1,4-oxazepan-4-ylsulfonyl)benzenesulfonamide.
What is the SMILES notation for 2-chloro-4-(1,4-oxazepan-4-ylsulfonyl)benzenesulfonamide?
The canonical SMILES for 2-chloro-4-(1,4-oxazepan-4-ylsulfonyl)benzenesulfonamide is NS(=O)(=O)c1ccc(S(=O)(=O)N2CCCOCC2)cc1Cl.
What is the InChIKey of 2-chloro-4-(1,4-oxazepan-4-ylsulfonyl)benzenesulfonamide?
The InChIKey is RHBKOWDTSHSIAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClN2O5S2/c12-10-8-9(2-3-11(10)20(13,15)16)21(17,18)14-4-1-6-19-7-5-14/h2-3,8H,1,4-7H2,(H2,13,15,16).
What are the key properties of 2-chloro-4-(1,4-oxazepan-4-ylsulfonyl)benzenesulfonamide?
2-chloro-4-(1,4-oxazepan-4-ylsulfonyl)benzenesulfonamide has a molecular weight of 354.84 g/mol, XLogP of 0.40, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-(1,4-oxazepan-4-ylsulfonyl)benzenesulfonamide is sourced from PubChem (CID 90672912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).