6-(3-chloro-4-fluorophenyl)sulfonyl-N,2,2-trimethylcyclohexan-1-amine

C15H21ClFNO2S — CID 79833106

IUPAC6-(3-chloro-4-fluorophenyl)sulfonyl-N,2,2-trimethylcyclohexan-1-amine
SMILESCNC1C(S(=O)(=O)c2ccc(F)c(Cl)c2)CCCC1(C)C
InChIInChI=1S/C15H21ClFNO2S/c1-15(2)8-4-5-13(14(15)18-3)21(19,20)10-6-7-12(17)11(16)9-10/h6-7,9,13-14,18H,4-5,8H2,1-3H3
InChIKeyGCJUVXQNGUKYQM-UHFFFAOYSA-N
MW333.86 g/mol
LogP3.42
Rot. Bonds3

About 6-(3-chloro-4-fluorophenyl)sulfonyl-N,2,2-trimethylcyclohexan-1-amine

6-(3-chloro-4-fluorophenyl)sulfonyl-N,2,2-trimethylcyclohexan-1-amine (PubChem CID 79833106) has the molecular formula C15H21ClFNO2S and a molecular weight of 333.86 g/mol. Its IUPAC name is 6-(3-chloro-4-fluorophenyl)sulfonyl-N,2,2-trimethylcyclohexan-1-amine.

Molecular Properties

Compound Name6-(3-chloro-4-fluorophenyl)sulfonyl-N,2,2-trimethylcyclohexan-1-amine
PubChem CID79833106
Molecular FormulaC15H21ClFNO2S
Molecular Weight333.86 g/mol
Exact Mass333.10
IUPAC Name6-(3-chloro-4-fluorophenyl)sulfonyl-N,2,2-trimethylcyclohexan-1-amine
SMILESCNC1C(S(=O)(=O)c2ccc(F)c(Cl)c2)CCCC1(C)C
InChIInChI=1S/C15H21ClFNO2S/c1-15(2)8-4-5-13(14(15)18-3)21(19,20)10-6-7-12(17)11(16)9-10/h6-7,9,13-14,18H,4-5,8H2,1-3H3
InChIKeyGCJUVXQNGUKYQM-UHFFFAOYSA-N
XLogP3.42
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.86
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-chloro-4-fluorophenyl)sulfonyl-N-propylcyclohexan-1-amine
CID 64674143
2-(3-chloro-4-fluorophenyl)sulfonyl-N,4-dimethylcyclohexan-1-amine
CID 64676122
2-(3-chloro-4-fluorophenyl)sulfonylcyclopentane-1-carbonitrile
CID 64691826
2-(4-chlorophenyl)sulfonyl-N-methylcyclohexan-1-amine
CID 64638589
2-[2-(3-chloro-4-fluorophenyl)sulfonylethyl]-N-methylcyclopentan-1-amine
CID 79581885
2-(3,4-difluorophenyl)sulfonyl-N,4,4-trimethylcyclohexan-1-amine
CID 64645466
6-(benzenesulfonyl)-N-ethyl-2,2-dimethylcyclohexan-1-amine
CID 79847566
2-(4-chlorophenyl)sulfonyl-N,4,4-trimethylcyclohexan-1-amine
CID 64638997
3-chloro-4-fluoro-N-[(1-hydroxy-3-methylcyclohexyl)methyl]benzenesulfonamide
CID 65121305
2-(4-fluorophenyl)sulfonyl-N-methylcyclohexan-1-amine
CID 64639422
2-(3,4-difluorophenyl)sulfonyl-N-ethylcyclopentan-1-amine
CID 64644473
3-chloro-N-(3,5-dichlorophenyl)-4-fluorobenzenesulfonamide
CID 3742158

Frequently Asked Questions

What is the IUPAC name of 6-(3-chloro-4-fluorophenyl)sulfonyl-N,2,2-trimethylcyclohexan-1-amine?
The IUPAC name of 6-(3-chloro-4-fluorophenyl)sulfonyl-N,2,2-trimethylcyclohexan-1-amine (CID 79833106) is 6-(3-chloro-4-fluorophenyl)sulfonyl-N,2,2-trimethylcyclohexan-1-amine.
What is the SMILES notation for 6-(3-chloro-4-fluorophenyl)sulfonyl-N,2,2-trimethylcyclohexan-1-amine?
The canonical SMILES for 6-(3-chloro-4-fluorophenyl)sulfonyl-N,2,2-trimethylcyclohexan-1-amine is CNC1C(S(=O)(=O)c2ccc(F)c(Cl)c2)CCCC1(C)C.
What is the InChIKey of 6-(3-chloro-4-fluorophenyl)sulfonyl-N,2,2-trimethylcyclohexan-1-amine?
The InChIKey is GCJUVXQNGUKYQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClFNO2S/c1-15(2)8-4-5-13(14(15)18-3)21(19,20)10-6-7-12(17)11(16)9-10/h6-7,9,13-14,18H,4-5,8H2,1-3H3.
What are the key properties of 6-(3-chloro-4-fluorophenyl)sulfonyl-N,2,2-trimethylcyclohexan-1-amine?
6-(3-chloro-4-fluorophenyl)sulfonyl-N,2,2-trimethylcyclohexan-1-amine has a molecular weight of 333.86 g/mol, XLogP of 3.42, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-chloro-4-fluorophenyl)sulfonyl-N,2,2-trimethylcyclohexan-1-amine is sourced from PubChem (CID 79833106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).