N-(6-chloro-2,3-difluorophenyl)sulfonyl-3-methylcyclopentane-1-carboxamide

C13H14ClF2NO3S — CID 139002220

IUPACN-(6-chloro-2,3-difluorophenyl)sulfonyl-3-methylcyclopentane-1-carboxamide
SMILESCC1CCC(C(=O)NS(=O)(=O)c2c(Cl)ccc(F)c2F)C1
InChIInChI=1S/C13H14ClF2NO3S/c1-7-2-3-8(6-7)13(18)17-21(19,20)12-9(14)4-5-10(15)11(12)16/h4-5,7-8H,2-3,6H2,1H3,(H,17,18)
InChIKeyAVHTXGLSOLQVOR-UHFFFAOYSA-N
MW337.78 g/mol
LogP2.86
Rot. Bonds3

About N-(6-chloro-2,3-difluorophenyl)sulfonyl-3-methylcyclopentane-1-carboxamide

N-(6-chloro-2,3-difluorophenyl)sulfonyl-3-methylcyclopentane-1-carboxamide (PubChem CID 139002220) has the molecular formula C13H14ClF2NO3S and a molecular weight of 337.78 g/mol. Its IUPAC name is N-(6-chloro-2,3-difluorophenyl)sulfonyl-3-methylcyclopentane-1-carboxamide.

Molecular Properties

Compound NameN-(6-chloro-2,3-difluorophenyl)sulfonyl-3-methylcyclopentane-1-carboxamide
PubChem CID139002220
Molecular FormulaC13H14ClF2NO3S
Molecular Weight337.78 g/mol
Exact Mass337.04
IUPAC NameN-(6-chloro-2,3-difluorophenyl)sulfonyl-3-methylcyclopentane-1-carboxamide
SMILESCC1CCC(C(=O)NS(=O)(=O)c2c(Cl)ccc(F)c2F)C1
InChIInChI=1S/C13H14ClF2NO3S/c1-7-2-3-8(6-7)13(18)17-21(19,20)12-9(14)4-5-10(15)11(12)16/h4-5,7-8H,2-3,6H2,1H3,(H,17,18)
InChIKeyAVHTXGLSOLQVOR-UHFFFAOYSA-N
XLogP2.86
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.78
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

4-[(6-chloro-2,3-difluorophenyl)sulfonylamino]cyclohexane-1-carboxylic acid
CID 122071127
(2-chlorophenyl)-(3-methylcyclopentyl)methanone
CID 65402941
(3-methylcyclohexyl)-(2,3,4-trifluorophenyl)methanone
CID 62964101
3-chloro-2-fluoro-N-(3-methylcyclopentyl)benzamide
CID 114550116
3-[(3-chloro-4-fluorophenyl)sulfonylamino]cyclopentane-1-carboxylic acid
CID 66031557
N-(4-chlorophenyl)-3-methylcyclohexane-1-carboxamide;propane
CID 142985904
(2-bromo-3,4-difluorophenyl)-(3-methylcyclohexyl)methanone
CID 107538200
N-[3-[(2-bromo-3-fluorophenyl)carbamothioylamino]-6-chloro-2-hydroxyphenyl]sulfonyl-1-oxidopiperidine-4-carboxamide
CID 87432728
2-(3-bromo-2,6-difluorophenyl)-1-(3-methylcyclopentyl)ethanone
CID 106266115
(E)-3-(2,6-dichlorophenyl)-N-(3-methylcyclopentyl)prop-2-enamide
CID 114549744
2-(2-chlorophenyl)-N-(3-methylcyclopentyl)acetamide
CID 114549493
2-(2,5-difluorophenyl)-1-(3-methylcyclopentyl)ethanone
CID 65402969

Frequently Asked Questions

What is the IUPAC name of N-(6-chloro-2,3-difluorophenyl)sulfonyl-3-methylcyclopentane-1-carboxamide?
The IUPAC name of N-(6-chloro-2,3-difluorophenyl)sulfonyl-3-methylcyclopentane-1-carboxamide (CID 139002220) is N-(6-chloro-2,3-difluorophenyl)sulfonyl-3-methylcyclopentane-1-carboxamide.
What is the SMILES notation for N-(6-chloro-2,3-difluorophenyl)sulfonyl-3-methylcyclopentane-1-carboxamide?
The canonical SMILES for N-(6-chloro-2,3-difluorophenyl)sulfonyl-3-methylcyclopentane-1-carboxamide is CC1CCC(C(=O)NS(=O)(=O)c2c(Cl)ccc(F)c2F)C1.
What is the InChIKey of N-(6-chloro-2,3-difluorophenyl)sulfonyl-3-methylcyclopentane-1-carboxamide?
The InChIKey is AVHTXGLSOLQVOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClF2NO3S/c1-7-2-3-8(6-7)13(18)17-21(19,20)12-9(14)4-5-10(15)11(12)16/h4-5,7-8H,2-3,6H2,1H3,(H,17,18).
What are the key properties of N-(6-chloro-2,3-difluorophenyl)sulfonyl-3-methylcyclopentane-1-carboxamide?
N-(6-chloro-2,3-difluorophenyl)sulfonyl-3-methylcyclopentane-1-carboxamide has a molecular weight of 337.78 g/mol, XLogP of 2.86, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-chloro-2,3-difluorophenyl)sulfonyl-3-methylcyclopentane-1-carboxamide is sourced from PubChem (CID 139002220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).