2-(3-chloro-4-fluorophenyl)sulfonyl-N-propylcyclohexan-1-amine

C15H21ClFNO2S — CID 64674143

IUPAC2-(3-chloro-4-fluorophenyl)sulfonyl-N-propylcyclohexan-1-amine
SMILESCCCNC1CCCCC1S(=O)(=O)c1ccc(F)c(Cl)c1
InChIInChI=1S/C15H21ClFNO2S/c1-2-9-18-14-5-3-4-6-15(14)21(19,20)11-7-8-13(17)12(16)10-11/h7-8,10,14-15,18H,2-6,9H2,1H3
InChIKeyPOWFTSRUQIJODB-UHFFFAOYSA-N
MW333.86 g/mol
LogP3.56
Rot. Bonds5

About 2-(3-chloro-4-fluorophenyl)sulfonyl-N-propylcyclohexan-1-amine

2-(3-chloro-4-fluorophenyl)sulfonyl-N-propylcyclohexan-1-amine (PubChem CID 64674143) has the molecular formula C15H21ClFNO2S and a molecular weight of 333.86 g/mol. Its IUPAC name is 2-(3-chloro-4-fluorophenyl)sulfonyl-N-propylcyclohexan-1-amine.

Molecular Properties

Compound Name2-(3-chloro-4-fluorophenyl)sulfonyl-N-propylcyclohexan-1-amine
PubChem CID64674143
Molecular FormulaC15H21ClFNO2S
Molecular Weight333.86 g/mol
Exact Mass333.10
IUPAC Name2-(3-chloro-4-fluorophenyl)sulfonyl-N-propylcyclohexan-1-amine
SMILESCCCNC1CCCCC1S(=O)(=O)c1ccc(F)c(Cl)c1
InChIInChI=1S/C15H21ClFNO2S/c1-2-9-18-14-5-3-4-6-15(14)21(19,20)11-7-8-13(17)12(16)10-11/h7-8,10,14-15,18H,2-6,9H2,1H3
InChIKeyPOWFTSRUQIJODB-UHFFFAOYSA-N
XLogP3.56
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.86
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-chlorophenyl)sulfonyl-N-propylcyclopentan-1-amine
CID 64673642
2-(3,4-difluorophenyl)sulfonyl-N-ethylcyclopentan-1-amine
CID 64644473
2-(3-chloro-4-fluorophenyl)sulfonyl-N,4-dimethylcyclohexan-1-amine
CID 64676122
6-(3-chloro-4-fluorophenyl)sulfonyl-N,2,2-trimethylcyclohexan-1-amine
CID 79833106
2-(3-chloro-4-fluorophenyl)sulfonylcyclopentane-1-carbonitrile
CID 64691826
2-(4-chlorophenyl)sulfonyl-N-methylcyclohexan-1-amine
CID 64638589
(3R,4S)-4-(4-chlorophenyl)sulfonyl-1,1-dioxo-N-propylthiolan-3-amine
CID 124655517
2-(2,5-difluorophenyl)sulfonyl-N-ethylcycloheptan-1-amine
CID 64645332
N-ethyl-2-(3-methylphenyl)sulfonylcyclohexan-1-amine
CID 64675273
2-[2-(4-chlorophenyl)sulfonylethyl]-N-propylcyclopentan-1-amine
CID 79587194
3-(3-chloro-4-fluorophenyl)sulfinyl-2-methyl-N-propylcyclopentan-1-amine
CID 115477312
2-(4-bromophenyl)sulfonyl-N-ethylcycloheptan-1-amine
CID 64645455

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-4-fluorophenyl)sulfonyl-N-propylcyclohexan-1-amine?
The IUPAC name of 2-(3-chloro-4-fluorophenyl)sulfonyl-N-propylcyclohexan-1-amine (CID 64674143) is 2-(3-chloro-4-fluorophenyl)sulfonyl-N-propylcyclohexan-1-amine.
What is the SMILES notation for 2-(3-chloro-4-fluorophenyl)sulfonyl-N-propylcyclohexan-1-amine?
The canonical SMILES for 2-(3-chloro-4-fluorophenyl)sulfonyl-N-propylcyclohexan-1-amine is CCCNC1CCCCC1S(=O)(=O)c1ccc(F)c(Cl)c1.
What is the InChIKey of 2-(3-chloro-4-fluorophenyl)sulfonyl-N-propylcyclohexan-1-amine?
The InChIKey is POWFTSRUQIJODB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClFNO2S/c1-2-9-18-14-5-3-4-6-15(14)21(19,20)11-7-8-13(17)12(16)10-11/h7-8,10,14-15,18H,2-6,9H2,1H3.
What are the key properties of 2-(3-chloro-4-fluorophenyl)sulfonyl-N-propylcyclohexan-1-amine?
2-(3-chloro-4-fluorophenyl)sulfonyl-N-propylcyclohexan-1-amine has a molecular weight of 333.86 g/mol, XLogP of 3.56, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-4-fluorophenyl)sulfonyl-N-propylcyclohexan-1-amine is sourced from PubChem (CID 64674143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).