(E)-2-(4-chlorophenyl)-N-[(3-hydroxycyclohexyl)methyl]ethenesulfonamide

C15H20ClNO3S — CID 103835785

IUPAC(E)-2-(4-chlorophenyl)-N-[(3-hydroxycyclohexyl)methyl]ethenesulfonamide
SMILESO=S(=O)(/C=C/c1ccc(Cl)cc1)NCC1CCCC(O)C1
InChIInChI=1S/C15H20ClNO3S/c16-14-6-4-12(5-7-14)8-9-21(19,20)17-11-13-2-1-3-15(18)10-13/h4-9,13,15,17-18H,1-3,10-11H2/b9-8+
InChIKeyGEUZHSYCORLIQX-CMDGGOBGSA-N
MW329.85 g/mol
LogP2.78
Rot. Bonds5

About (E)-2-(4-chlorophenyl)-N-[(3-hydroxycyclohexyl)methyl]ethenesulfonamide

(E)-2-(4-chlorophenyl)-N-[(3-hydroxycyclohexyl)methyl]ethenesulfonamide (PubChem CID 103835785) has the molecular formula C15H20ClNO3S and a molecular weight of 329.85 g/mol. Its IUPAC name is (E)-2-(4-chlorophenyl)-N-[(3-hydroxycyclohexyl)methyl]ethenesulfonamide.

Molecular Properties

Compound Name(E)-2-(4-chlorophenyl)-N-[(3-hydroxycyclohexyl)methyl]ethenesulfonamide
PubChem CID103835785
Molecular FormulaC15H20ClNO3S
Molecular Weight329.85 g/mol
Exact Mass329.09
IUPAC Name(E)-2-(4-chlorophenyl)-N-[(3-hydroxycyclohexyl)methyl]ethenesulfonamide
SMILESO=S(=O)(/C=C/c1ccc(Cl)cc1)NCC1CCCC(O)C1
InChIInChI=1S/C15H20ClNO3S/c16-14-6-4-12(5-7-14)8-9-21(19,20)17-11-13-2-1-3-15(18)10-13/h4-9,13,15,17-18H,1-3,10-11H2/b9-8+
InChIKeyGEUZHSYCORLIQX-CMDGGOBGSA-N
XLogP2.78
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.85
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3,5-dichloro-N-[(3-hydroxycyclohexyl)methyl]benzenesulfonamide
CID 103835805
5-chloro-N-[(3-hydroxycyclohexyl)methyl]-2-methylbenzenesulfonamide
CID 103835873
4-chloro-N-[(3-hydroxycyclopentyl)methyl]benzenesulfonamide
CID 54351747
3-[[(4-chlorophenyl)methylamino]methyl]cyclohexan-1-ol
CID 103699808
(E)-2-(4-chlorophenyl)-N-[(1R,2R)-2-hydroxycyclohexyl]ethenesulfonamide
CID 104922321
6-chloro-N-[(3-hydroxycyclohexyl)methyl]pyridine-3-sulfonamide
CID 103835870
N-[(3-hydroxycyclohexyl)methyl]propane-1-sulfonamide
CID 103697688
3-[[(E)-2-(4-chlorophenyl)ethenyl]sulfonylamino]propanoic acid
CID 43237715
5-amino-2-chloro-N-[(3-hydroxycyclohexyl)methyl]benzenesulfonamide
CID 106119339
3-amino-2,4-difluoro-N-[(3-hydroxycyclohexyl)methyl]benzenesulfonamide
CID 106119335
2-chloro-N-[(3-hydroxycyclohexyl)methyl]pyridine-4-sulfonamide
CID 114147254
2-[[(E)-2-(4-chlorophenyl)ethenyl]sulfonylamino]-N-methylacetamide
CID 9302302

Frequently Asked Questions

What is the IUPAC name of (E)-2-(4-chlorophenyl)-N-[(3-hydroxycyclohexyl)methyl]ethenesulfonamide?
The IUPAC name of (E)-2-(4-chlorophenyl)-N-[(3-hydroxycyclohexyl)methyl]ethenesulfonamide (CID 103835785) is (E)-2-(4-chlorophenyl)-N-[(3-hydroxycyclohexyl)methyl]ethenesulfonamide.
What is the SMILES notation for (E)-2-(4-chlorophenyl)-N-[(3-hydroxycyclohexyl)methyl]ethenesulfonamide?
The canonical SMILES for (E)-2-(4-chlorophenyl)-N-[(3-hydroxycyclohexyl)methyl]ethenesulfonamide is O=S(=O)(/C=C/c1ccc(Cl)cc1)NCC1CCCC(O)C1.
What is the InChIKey of (E)-2-(4-chlorophenyl)-N-[(3-hydroxycyclohexyl)methyl]ethenesulfonamide?
The InChIKey is GEUZHSYCORLIQX-CMDGGOBGSA-N. The full InChI is InChI=1S/C15H20ClNO3S/c16-14-6-4-12(5-7-14)8-9-21(19,20)17-11-13-2-1-3-15(18)10-13/h4-9,13,15,17-18H,1-3,10-11H2/b9-8+.
What are the key properties of (E)-2-(4-chlorophenyl)-N-[(3-hydroxycyclohexyl)methyl]ethenesulfonamide?
(E)-2-(4-chlorophenyl)-N-[(3-hydroxycyclohexyl)methyl]ethenesulfonamide has a molecular weight of 329.85 g/mol, XLogP of 2.78, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-(4-chlorophenyl)-N-[(3-hydroxycyclohexyl)methyl]ethenesulfonamide is sourced from PubChem (CID 103835785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).