5-chloro-2-(cyclobutylmethoxy)-N-(oxepan-4-yl)benzenesulfonamide

C17H24ClNO4S — CID 126772761

IUPAC5-chloro-2-(cyclobutylmethoxy)-N-(oxepan-4-yl)benzenesulfonamide
SMILESO=S(=O)(NC1CCCOCC1)c1cc(Cl)ccc1OCC1CCC1
InChIInChI=1S/C17H24ClNO4S/c18-14-6-7-16(23-12-13-3-1-4-13)17(11-14)24(20,21)19-15-5-2-9-22-10-8-15/h6-7,11,13,15,19H,1-5,8-10,12H2
InChIKeyAQJQBBNYQKXQNF-UHFFFAOYSA-N
MW373.90 g/mol
LogP3.37
Rot. Bonds6

About 5-chloro-2-(cyclobutylmethoxy)-N-(oxepan-4-yl)benzenesulfonamide

5-chloro-2-(cyclobutylmethoxy)-N-(oxepan-4-yl)benzenesulfonamide (PubChem CID 126772761) has the molecular formula C17H24ClNO4S and a molecular weight of 373.90 g/mol. Its IUPAC name is 5-chloro-2-(cyclobutylmethoxy)-N-(oxepan-4-yl)benzenesulfonamide.

Molecular Properties

Compound Name5-chloro-2-(cyclobutylmethoxy)-N-(oxepan-4-yl)benzenesulfonamide
PubChem CID126772761
Molecular FormulaC17H24ClNO4S
Molecular Weight373.90 g/mol
Exact Mass373.11
IUPAC Name5-chloro-2-(cyclobutylmethoxy)-N-(oxepan-4-yl)benzenesulfonamide
SMILESO=S(=O)(NC1CCCOCC1)c1cc(Cl)ccc1OCC1CCC1
InChIInChI=1S/C17H24ClNO4S/c18-14-6-7-16(23-12-13-3-1-4-13)17(11-14)24(20,21)19-15-5-2-9-22-10-8-15/h6-7,11,13,15,19H,1-5,8-10,12H2
InChIKeyAQJQBBNYQKXQNF-UHFFFAOYSA-N
XLogP3.37
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.90
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-chloro-2-(cyclobutylmethoxy)-N-(oxepan-4-yl)benzenesulfonamide 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

N-(2-aminoethyl)-5-chloro-2-(cyclobutylmethoxy)benzenesulfonamide;hydrochloride
CID 120706224
N-(3-amino-2,2-difluoropropyl)-5-chloro-2-(cyclobutylmethoxy)benzenesulfonamide;hydrochloride
CID 120713028
N-(4-aminocyclohexyl)-5-chloro-2-(2-cyclopropylethoxy)benzenesulfonamide
CID 126779567
N-(3-aminopropyl)-5-chloro-2-(oxolan-3-ylmethoxy)benzenesulfonamide;hydrochloride
CID 120706793
N-(2-amino-2-cyclopropylethyl)-5-chloro-2-(oxolan-3-ylmethoxy)benzenesulfonamide;hydrochloride
CID 120713306
5-chloro-N-cyclopentyl-2-fluorobenzenesulfonamide
CID 110759330
5-chloro-2-ethoxy-N-[(1R,2S)-2-methylcyclohexyl]benzenesulfonamide
CID 40793418
5-chloro-N-[4-[4-[3-(cyclopropylmethoxy)-2-pyridinyl]piperazin-1-yl]cyclohexyl]-2-methoxybenzenesulfonamide;ethane
CID 143302191
4-chloro-1-(cyclobutylmethoxy)-2-fluorobenzene
CID 130161233
2-amino-4-chloro-N-cyclobutylbenzenesulfonamide
CID 62415700
1-[5-chloro-2-(cyclobutylmethoxy)phenyl]sulfonyl-1,4-diazepane
CID 120707063
4-chloro-1-(cyclobutylmethoxy)-2-methylbenzene
CID 127017270

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-(cyclobutylmethoxy)-N-(oxepan-4-yl)benzenesulfonamide?
The IUPAC name of 5-chloro-2-(cyclobutylmethoxy)-N-(oxepan-4-yl)benzenesulfonamide (CID 126772761) is 5-chloro-2-(cyclobutylmethoxy)-N-(oxepan-4-yl)benzenesulfonamide.
What is the SMILES notation for 5-chloro-2-(cyclobutylmethoxy)-N-(oxepan-4-yl)benzenesulfonamide?
The canonical SMILES for 5-chloro-2-(cyclobutylmethoxy)-N-(oxepan-4-yl)benzenesulfonamide is O=S(=O)(NC1CCCOCC1)c1cc(Cl)ccc1OCC1CCC1.
What is the InChIKey of 5-chloro-2-(cyclobutylmethoxy)-N-(oxepan-4-yl)benzenesulfonamide?
The InChIKey is AQJQBBNYQKXQNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24ClNO4S/c18-14-6-7-16(23-12-13-3-1-4-13)17(11-14)24(20,21)19-15-5-2-9-22-10-8-15/h6-7,11,13,15,19H,1-5,8-10,12H2.
What are the key properties of 5-chloro-2-(cyclobutylmethoxy)-N-(oxepan-4-yl)benzenesulfonamide?
5-chloro-2-(cyclobutylmethoxy)-N-(oxepan-4-yl)benzenesulfonamide has a molecular weight of 373.90 g/mol, XLogP of 3.37, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-(cyclobutylmethoxy)-N-(oxepan-4-yl)benzenesulfonamide is sourced from PubChem (CID 126772761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).