3,4-difluoro-5-[(1-methylcyclopentyl)carbamoyl]benzenesulfonyl chloride

C13H14ClF2NO3S — CID 65398826

IUPAC3,4-difluoro-5-[(1-methylcyclopentyl)carbamoyl]benzenesulfonyl chloride
SMILESCC1(NC(=O)c2cc(S(=O)(=O)Cl)cc(F)c2F)CCCC1
InChIInChI=1S/C13H14ClF2NO3S/c1-13(4-2-3-5-13)17-12(18)9-6-8(21(14,19)20)7-10(15)11(9)16/h6-7H,2-5H2,1H3,(H,17,18)
InChIKeyYTCVOXXRSXTSJM-UHFFFAOYSA-N
MW337.78 g/mol
LogP2.95
Rot. Bonds3

About 3,4-difluoro-5-[(1-methylcyclopentyl)carbamoyl]benzenesulfonyl chloride

3,4-difluoro-5-[(1-methylcyclopentyl)carbamoyl]benzenesulfonyl chloride (PubChem CID 65398826) has the molecular formula C13H14ClF2NO3S and a molecular weight of 337.78 g/mol. Its IUPAC name is 3,4-difluoro-5-[(1-methylcyclopentyl)carbamoyl]benzenesulfonyl chloride.

Molecular Properties

Compound Name3,4-difluoro-5-[(1-methylcyclopentyl)carbamoyl]benzenesulfonyl chloride
PubChem CID65398826
Molecular FormulaC13H14ClF2NO3S
Molecular Weight337.78 g/mol
Exact Mass337.04
IUPAC Name3,4-difluoro-5-[(1-methylcyclopentyl)carbamoyl]benzenesulfonyl chloride
SMILESCC1(NC(=O)c2cc(S(=O)(=O)Cl)cc(F)c2F)CCCC1
InChIInChI=1S/C13H14ClF2NO3S/c1-13(4-2-3-5-13)17-12(18)9-6-8(21(14,19)20)7-10(15)11(9)16/h6-7H,2-5H2,1H3,(H,17,18)
InChIKeyYTCVOXXRSXTSJM-UHFFFAOYSA-N
XLogP2.95
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 ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-chloro-2-fluoro-N-(1-methylcyclopentyl)-3-sulfamoylbenzamide
CID 65380196
5-chlorosulfonyl-2,3-difluorobenzoyl chloride
CID 116739963
2,4-dimethyl-5-[(1-methylcyclopentyl)carbamoyl]benzenesulfonyl chloride
CID 65397672
4-chloro-2-fluoro-5-[(1-methylcyclopropyl)carbamoyl]benzenesulfonyl chloride
CID 113486103
3-(2,2-dimethylbutylcarbamoyl)-4,5-difluorobenzenesulfonyl chloride
CID 103465632
3,4-difluoro-5-(2-methylbutan-2-ylcarbamoyl)benzenesulfonyl chloride
CID 65368447
3,5-difluoro-4-(methylamino)-N-(1-methylcyclopentyl)benzamide
CID 64688484
3,4,5-trifluoro-N-(1-methylcyclopropyl)benzamide
CID 115634311
4-chloro-2-hydroxy-N-(1-methylcyclohexyl)benzamide
CID 61217012
2-methoxyethyl 5-chlorosulfonyl-2,3-difluorobenzoate
CID 65374883
4-[(1-methylcyclopentyl)carbamoyl]thiophene-2-sulfonyl chloride
CID 65398442
2,3-difluoro-N-(1-methylcyclopentyl)pyridine-4-carboxamide
CID 105381019

Frequently Asked Questions

What is the IUPAC name of 3,4-difluoro-5-[(1-methylcyclopentyl)carbamoyl]benzenesulfonyl chloride?
The IUPAC name of 3,4-difluoro-5-[(1-methylcyclopentyl)carbamoyl]benzenesulfonyl chloride (CID 65398826) is 3,4-difluoro-5-[(1-methylcyclopentyl)carbamoyl]benzenesulfonyl chloride.
What is the SMILES notation for 3,4-difluoro-5-[(1-methylcyclopentyl)carbamoyl]benzenesulfonyl chloride?
The canonical SMILES for 3,4-difluoro-5-[(1-methylcyclopentyl)carbamoyl]benzenesulfonyl chloride is CC1(NC(=O)c2cc(S(=O)(=O)Cl)cc(F)c2F)CCCC1.
What is the InChIKey of 3,4-difluoro-5-[(1-methylcyclopentyl)carbamoyl]benzenesulfonyl chloride?
The InChIKey is YTCVOXXRSXTSJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClF2NO3S/c1-13(4-2-3-5-13)17-12(18)9-6-8(21(14,19)20)7-10(15)11(9)16/h6-7H,2-5H2,1H3,(H,17,18).
What are the key properties of 3,4-difluoro-5-[(1-methylcyclopentyl)carbamoyl]benzenesulfonyl chloride?
3,4-difluoro-5-[(1-methylcyclopentyl)carbamoyl]benzenesulfonyl chloride has a molecular weight of 337.78 g/mol, XLogP of 2.95, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-difluoro-5-[(1-methylcyclopentyl)carbamoyl]benzenesulfonyl chloride is sourced from PubChem (CID 65398826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).