4-chloro-2-(cycloheptylamino)benzenesulfonamide

C13H19ClN2O2S — CID 67530728

IUPAC4-chloro-2-(cycloheptylamino)benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(Cl)cc1NC1CCCCCC1
InChIInChI=1S/C13H19ClN2O2S/c14-10-7-8-13(19(15,17)18)12(9-10)16-11-5-3-1-2-4-6-11/h7-9,11,16H,1-6H2,(H2,15,17,18)
InChIKeyXKJXZQPTFSWQBA-UHFFFAOYSA-N
MW302.83 g/mol
LogP3.12
Rot. Bonds3

About 4-chloro-2-(cycloheptylamino)benzenesulfonamide

4-chloro-2-(cycloheptylamino)benzenesulfonamide (PubChem CID 67530728) has the molecular formula C13H19ClN2O2S and a molecular weight of 302.83 g/mol. Its IUPAC name is 4-chloro-2-(cycloheptylamino)benzenesulfonamide.

Molecular Properties

Compound Name4-chloro-2-(cycloheptylamino)benzenesulfonamide
PubChem CID67530728
Molecular FormulaC13H19ClN2O2S
Molecular Weight302.83 g/mol
Exact Mass302.09
IUPAC Name4-chloro-2-(cycloheptylamino)benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(Cl)cc1NC1CCCCCC1
InChIInChI=1S/C13H19ClN2O2S/c14-10-7-8-13(19(15,17)18)12(9-10)16-11-5-3-1-2-4-6-11/h7-9,11,16H,1-6H2,(H2,15,17,18)
InChIKeyXKJXZQPTFSWQBA-UHFFFAOYSA-N
XLogP3.12
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.83
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-(cycloheptylamino)benzenesulfonamide?
The IUPAC name of 4-chloro-2-(cycloheptylamino)benzenesulfonamide (CID 67530728) is 4-chloro-2-(cycloheptylamino)benzenesulfonamide.
What is the SMILES notation for 4-chloro-2-(cycloheptylamino)benzenesulfonamide?
The canonical SMILES for 4-chloro-2-(cycloheptylamino)benzenesulfonamide is NS(=O)(=O)c1ccc(Cl)cc1NC1CCCCCC1.
What is the InChIKey of 4-chloro-2-(cycloheptylamino)benzenesulfonamide?
The InChIKey is XKJXZQPTFSWQBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClN2O2S/c14-10-7-8-13(19(15,17)18)12(9-10)16-11-5-3-1-2-4-6-11/h7-9,11,16H,1-6H2,(H2,15,17,18).
What are the key properties of 4-chloro-2-(cycloheptylamino)benzenesulfonamide?
4-chloro-2-(cycloheptylamino)benzenesulfonamide has a molecular weight of 302.83 g/mol, XLogP of 3.12, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-(cycloheptylamino)benzenesulfonamide is sourced from PubChem (CID 67530728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).