4-chloro-N-(2-phenylsulfanylcyclohexyl)benzenesulfonamide

C18H20ClNO2S2 — CID 2975041

IUPAC4-chloro-N-(2-phenylsulfanylcyclohexyl)benzenesulfonamide
SMILESO=S(=O)(NC1CCCCC1Sc1ccccc1)c1ccc(Cl)cc1
InChIInChI=1S/C18H20ClNO2S2/c19-14-10-12-16(13-11-14)24(21,22)20-17-8-4-5-9-18(17)23-15-6-2-1-3-7-15/h1-3,6-7,10-13,17-18,20H,4-5,8-9H2
InChIKeyZCZSDKGNECAPBF-UHFFFAOYSA-N
MW381.95 g/mol
LogP4.72
Rot. Bonds5

About 4-chloro-N-(2-phenylsulfanylcyclohexyl)benzenesulfonamide

4-chloro-N-(2-phenylsulfanylcyclohexyl)benzenesulfonamide (PubChem CID 2975041) has the molecular formula C18H20ClNO2S2 and a molecular weight of 381.95 g/mol. Its IUPAC name is 4-chloro-N-(2-phenylsulfanylcyclohexyl)benzenesulfonamide.

Molecular Properties

Compound Name4-chloro-N-(2-phenylsulfanylcyclohexyl)benzenesulfonamide
PubChem CID2975041
Molecular FormulaC18H20ClNO2S2
Molecular Weight381.95 g/mol
Exact Mass381.06
IUPAC Name4-chloro-N-(2-phenylsulfanylcyclohexyl)benzenesulfonamide
SMILESO=S(=O)(NC1CCCCC1Sc1ccccc1)c1ccc(Cl)cc1
InChIInChI=1S/C18H20ClNO2S2/c19-14-10-12-16(13-11-14)24(21,22)20-17-8-4-5-9-18(17)23-15-6-2-1-3-7-15/h1-3,6-7,10-13,17-18,20H,4-5,8-9H2
InChIKeyZCZSDKGNECAPBF-UHFFFAOYSA-N
XLogP4.72
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.95
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-N-[(1R,2R)-2-(4-fluorophenyl)sulfanylcyclohexyl]benzenesulfonamide
CID 2198514
4-methyl-N-[(1R,2R)-2-phenylsulfanylcyclopentyl]benzenesulfonamide
CID 11544772
4-chloro-N-[(1S,2R)-2-pyridin-2-ylsulfanylcyclohexyl]benzenesulfonamide
CID 1167631
4-chloro-N-[(1R,2R)-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]cyclohexyl]benzenesulfonamide
CID 1081831
4-chloro-N-(2-phenoxycyclohexyl)benzenesulfonamide
CID 2912969
2-[(4-chlorophenyl)sulfonylamino]cycloheptane-1-carboxylic acid
CID 22019722
N-[2-(aminomethyl)cyclohexyl]-4-chlorobenzenesulfonamide;hydrochloride
CID 119986050
N-[(1R,2R)-2-[benzyl(ethyl)amino]cyclohexyl]-4-chlorobenzenesulfonamide
CID 124772278
4-chloro-N-[(1S,2R)-2-[(6-oxo-4-propyl-1H-pyrimidin-2-yl)sulfanyl]cyclohexyl]benzenesulfonamide
CID 135931350
4-chloro-N-[(1R,2R)-2-piperidin-1-ium-1-ylcyclohexyl]benzenesulfonamide
CID 6972183
N-methyl-2-phenylsulfanylcyclododecan-1-amine
CID 64619988
2-[2-[[2-[(4-chlorophenyl)sulfonylamino]cyclopentyl]methyl]phenyl]acetic acid
CID 161417428

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(2-phenylsulfanylcyclohexyl)benzenesulfonamide?
The IUPAC name of 4-chloro-N-(2-phenylsulfanylcyclohexyl)benzenesulfonamide (CID 2975041) is 4-chloro-N-(2-phenylsulfanylcyclohexyl)benzenesulfonamide.
What is the SMILES notation for 4-chloro-N-(2-phenylsulfanylcyclohexyl)benzenesulfonamide?
The canonical SMILES for 4-chloro-N-(2-phenylsulfanylcyclohexyl)benzenesulfonamide is O=S(=O)(NC1CCCCC1Sc1ccccc1)c1ccc(Cl)cc1.
What is the InChIKey of 4-chloro-N-(2-phenylsulfanylcyclohexyl)benzenesulfonamide?
The InChIKey is ZCZSDKGNECAPBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClNO2S2/c19-14-10-12-16(13-11-14)24(21,22)20-17-8-4-5-9-18(17)23-15-6-2-1-3-7-15/h1-3,6-7,10-13,17-18,20H,4-5,8-9H2.
What are the key properties of 4-chloro-N-(2-phenylsulfanylcyclohexyl)benzenesulfonamide?
4-chloro-N-(2-phenylsulfanylcyclohexyl)benzenesulfonamide has a molecular weight of 381.95 g/mol, XLogP of 4.72, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(2-phenylsulfanylcyclohexyl)benzenesulfonamide is sourced from PubChem (CID 2975041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).