N-(2-ethylcyclohexyl)-2-(4-methylphenyl)ethenesulfonamide

C17H25NO2S — CID 76866069

IUPACN-(2-ethylcyclohexyl)-2-(4-methylphenyl)ethenesulfonamide
SMILESCCC1CCCCC1NS(=O)(=O)C=Cc1ccc(C)cc1
InChIInChI=1S/C17H25NO2S/c1-3-16-6-4-5-7-17(16)18-21(19,20)13-12-15-10-8-14(2)9-11-15/h8-13,16-18H,3-7H2,1-2H3
InChIKeyDNNPZRWTTLQWJQ-UHFFFAOYSA-N
MW307.46 g/mol
LogP3.85
Rot. Bonds5

About N-(2-ethylcyclohexyl)-2-(4-methylphenyl)ethenesulfonamide

N-(2-ethylcyclohexyl)-2-(4-methylphenyl)ethenesulfonamide (PubChem CID 76866069) has the molecular formula C17H25NO2S and a molecular weight of 307.46 g/mol. Its IUPAC name is N-(2-ethylcyclohexyl)-2-(4-methylphenyl)ethenesulfonamide.

Molecular Properties

Compound NameN-(2-ethylcyclohexyl)-2-(4-methylphenyl)ethenesulfonamide
PubChem CID76866069
Molecular FormulaC17H25NO2S
Molecular Weight307.46 g/mol
Exact Mass307.16
IUPAC NameN-(2-ethylcyclohexyl)-2-(4-methylphenyl)ethenesulfonamide
SMILESCCC1CCCCC1NS(=O)(=O)C=Cc1ccc(C)cc1
InChIInChI=1S/C17H25NO2S/c1-3-16-6-4-5-7-17(16)18-21(19,20)13-12-15-10-8-14(2)9-11-15/h8-13,16-18H,3-7H2,1-2H3
InChIKeyDNNPZRWTTLQWJQ-UHFFFAOYSA-N
XLogP3.85
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.46
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(E)-2-(4-chlorophenyl)-N-[(1R,2R)-2-hydroxycyclohexyl]ethenesulfonamide
CID 104922321
(E)-7-[2-[[(E)-2-(4-bromophenyl)ethenyl]sulfonylamino]cyclohexyl]hept-5-enoic acid
CID 18798024
N-[(1R,2R)-2-methylcyclohexyl]-3-[[(E)-2-(4-methylphenyl)ethenyl]sulfonylamino]propanamide
CID 9273061
2-[4-[[(E)-2-(4-methylphenyl)ethenyl]sulfonylamino]piperidin-1-yl]acetamide
CID 56797547
N-cyclohexyl-2-[[(E)-2-(4-methylphenyl)ethenyl]sulfonylamino]acetamide
CID 26534933
N-(2-ethylcyclohexyl)-4-ethylsulfonylbenzenesulfonamide
CID 60530988
(E)-N-(1-benzylpiperidin-4-yl)-2-(4-methylphenyl)ethenesulfonamide
CID 134025652
1-ethyl-3-[2-(4-methylphenyl)ethenylsulfonyl]thiourea
CID 131878448
(E)-N-(2-cyclopropyl-2-hydroxypropyl)-2-(4-methylphenyl)ethenesulfonamide
CID 71796732
(E)-7-[2-[[(E)-2-(4-fluorophenyl)ethenyl]sulfonylamino]cyclopentyl]hept-5-enoic acid
CID 18798004
7-[2-[2-(3-methylphenyl)ethenylsulfonylamino]cyclopentyl]hept-5-enoic acid
CID 54408023
3-amino-N-(2-ethylcyclohexyl)-2,6-dimethylbenzenesulfonamide
CID 61466577

Frequently Asked Questions

What is the IUPAC name of N-(2-ethylcyclohexyl)-2-(4-methylphenyl)ethenesulfonamide?
The IUPAC name of N-(2-ethylcyclohexyl)-2-(4-methylphenyl)ethenesulfonamide (CID 76866069) is N-(2-ethylcyclohexyl)-2-(4-methylphenyl)ethenesulfonamide.
What is the SMILES notation for N-(2-ethylcyclohexyl)-2-(4-methylphenyl)ethenesulfonamide?
The canonical SMILES for N-(2-ethylcyclohexyl)-2-(4-methylphenyl)ethenesulfonamide is CCC1CCCCC1NS(=O)(=O)C=Cc1ccc(C)cc1.
What is the InChIKey of N-(2-ethylcyclohexyl)-2-(4-methylphenyl)ethenesulfonamide?
The InChIKey is DNNPZRWTTLQWJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO2S/c1-3-16-6-4-5-7-17(16)18-21(19,20)13-12-15-10-8-14(2)9-11-15/h8-13,16-18H,3-7H2,1-2H3.
What are the key properties of N-(2-ethylcyclohexyl)-2-(4-methylphenyl)ethenesulfonamide?
N-(2-ethylcyclohexyl)-2-(4-methylphenyl)ethenesulfonamide has a molecular weight of 307.46 g/mol, XLogP of 3.85, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethylcyclohexyl)-2-(4-methylphenyl)ethenesulfonamide is sourced from PubChem (CID 76866069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).