4-chloro-N-[2-(diethylamino)cyclohexyl]benzenesulfonamide

C16H25ClN2O2S — CID 4232580

IUPAC4-chloro-N-[2-(diethylamino)cyclohexyl]benzenesulfonamide
SMILESCCN(CC)C1CCCCC1NS(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C16H25ClN2O2S/c1-3-19(4-2)16-8-6-5-7-15(16)18-22(20,21)14-11-9-13(17)10-12-14/h9-12,15-16,18H,3-8H2,1-2H3
InChIKeyVQXHXCBYFGPRMT-UHFFFAOYSA-N
MW344.91 g/mol
LogP3.27
Rot. Bonds6

About 4-chloro-N-[2-(diethylamino)cyclohexyl]benzenesulfonamide

4-chloro-N-[2-(diethylamino)cyclohexyl]benzenesulfonamide (PubChem CID 4232580) has the molecular formula C16H25ClN2O2S and a molecular weight of 344.91 g/mol. Its IUPAC name is 4-chloro-N-[2-(diethylamino)cyclohexyl]benzenesulfonamide.

Molecular Properties

Compound Name4-chloro-N-[2-(diethylamino)cyclohexyl]benzenesulfonamide
PubChem CID4232580
Molecular FormulaC16H25ClN2O2S
Molecular Weight344.91 g/mol
Exact Mass344.13
IUPAC Name4-chloro-N-[2-(diethylamino)cyclohexyl]benzenesulfonamide
SMILESCCN(CC)C1CCCCC1NS(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C16H25ClN2O2S/c1-3-19(4-2)16-8-6-5-7-15(16)18-22(20,21)14-11-9-13(17)10-12-14/h9-12,15-16,18H,3-8H2,1-2H3
InChIKeyVQXHXCBYFGPRMT-UHFFFAOYSA-N
XLogP3.27
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.91
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[2-(diethylamino)cyclohexyl]benzenesulfonamide?
The IUPAC name of 4-chloro-N-[2-(diethylamino)cyclohexyl]benzenesulfonamide (CID 4232580) is 4-chloro-N-[2-(diethylamino)cyclohexyl]benzenesulfonamide.
What is the SMILES notation for 4-chloro-N-[2-(diethylamino)cyclohexyl]benzenesulfonamide?
The canonical SMILES for 4-chloro-N-[2-(diethylamino)cyclohexyl]benzenesulfonamide is CCN(CC)C1CCCCC1NS(=O)(=O)c1ccc(Cl)cc1.
What is the InChIKey of 4-chloro-N-[2-(diethylamino)cyclohexyl]benzenesulfonamide?
The InChIKey is VQXHXCBYFGPRMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25ClN2O2S/c1-3-19(4-2)16-8-6-5-7-15(16)18-22(20,21)14-11-9-13(17)10-12-14/h9-12,15-16,18H,3-8H2,1-2H3.
What are the key properties of 4-chloro-N-[2-(diethylamino)cyclohexyl]benzenesulfonamide?
4-chloro-N-[2-(diethylamino)cyclohexyl]benzenesulfonamide has a molecular weight of 344.91 g/mol, XLogP of 3.27, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[2-(diethylamino)cyclohexyl]benzenesulfonamide is sourced from PubChem (CID 4232580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).