2-chloro-5-[cyclopropyl(propyl)carbamoyl]-4-fluorobenzenesulfonyl chloride

C13H14Cl2FNO3S — CID 65371090

IUPAC2-chloro-5-[cyclopropyl(propyl)carbamoyl]-4-fluorobenzenesulfonyl chloride
SMILESCCCN(C(=O)c1cc(S(=O)(=O)Cl)c(Cl)cc1F)C1CC1
InChIInChI=1S/C13H14Cl2FNO3S/c1-2-5-17(8-3-4-8)13(18)9-6-12(21(15,19)20)10(14)7-11(9)16/h6-8H,2-5H2,1H3
InChIKeyREKZORLBSPMMCF-UHFFFAOYSA-N
MW354.23 g/mol
LogP3.42
Rot. Bonds5

About 2-chloro-5-[cyclopropyl(propyl)carbamoyl]-4-fluorobenzenesulfonyl chloride

2-chloro-5-[cyclopropyl(propyl)carbamoyl]-4-fluorobenzenesulfonyl chloride (PubChem CID 65371090) has the molecular formula C13H14Cl2FNO3S and a molecular weight of 354.23 g/mol. Its IUPAC name is 2-chloro-5-[cyclopropyl(propyl)carbamoyl]-4-fluorobenzenesulfonyl chloride.

Molecular Properties

Compound Name2-chloro-5-[cyclopropyl(propyl)carbamoyl]-4-fluorobenzenesulfonyl chloride
PubChem CID65371090
Molecular FormulaC13H14Cl2FNO3S
Molecular Weight354.23 g/mol
Exact Mass353.01
IUPAC Name2-chloro-5-[cyclopropyl(propyl)carbamoyl]-4-fluorobenzenesulfonyl chloride
SMILESCCCN(C(=O)c1cc(S(=O)(=O)Cl)c(Cl)cc1F)C1CC1
InChIInChI=1S/C13H14Cl2FNO3S/c1-2-5-17(8-3-4-8)13(18)9-6-12(21(15,19)20)10(14)7-11(9)16/h6-8H,2-5H2,1H3
InChIKeyREKZORLBSPMMCF-UHFFFAOYSA-N
XLogP3.42
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.23
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-chloro-5-[cyclopropyl(propyl)carbamoyl]-4-fluorobenzenesulfonyl chloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-chloro-5-(dimethylcarbamoyl)-4-fluorobenzenesulfonyl chloride
CID 65372566
5-bromo-2-chloro-3-[cyclopropyl(propyl)carbamoyl]benzenesulfonyl chloride
CID 65372431
5-bromo-3-[cyclopropyl(propyl)carbamoyl]-2-methylbenzenesulfonyl chloride
CID 65370705
4-chloro-N-cyclopropyl-2-fluoro-N-methyl-5-sulfamoylbenzamide
CID 65373711
2-chloro-4-fluoro-5-[methyl(2,2,2-trifluoroethyl)carbamoyl]benzenesulfonyl chloride
CID 65372490
2,4-difluoro-5-[propan-2-yl(propyl)carbamoyl]benzenesulfonyl chloride
CID 65371660
4-chloro-N-(2-chloroethyl)-N-cyclobutyl-2,5-difluorobenzamide
CID 102872799
2-chloro-5-(cyclopentylmethylcarbamoyl)-4-fluorobenzenesulfonyl chloride
CID 65372080
5-(2-azabicyclo[2.2.1]heptane-2-carbonyl)-2-chloro-4-fluorobenzenesulfonyl chloride
CID 65372148
3,4-dichloro-N-cyclopropyl-N-propyl-5-sulfamoylbenzamide
CID 65386602
N-(3-amino-3-sulfanylidenepropyl)-4-chloro-N-cyclopropyl-2,5-difluorobenzamide
CID 82771439
5-[butyl(methyl)carbamoyl]-2,4-difluorobenzenesulfonyl chloride
CID 65371988

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-[cyclopropyl(propyl)carbamoyl]-4-fluorobenzenesulfonyl chloride?
The IUPAC name of 2-chloro-5-[cyclopropyl(propyl)carbamoyl]-4-fluorobenzenesulfonyl chloride (CID 65371090) is 2-chloro-5-[cyclopropyl(propyl)carbamoyl]-4-fluorobenzenesulfonyl chloride.
What is the SMILES notation for 2-chloro-5-[cyclopropyl(propyl)carbamoyl]-4-fluorobenzenesulfonyl chloride?
The canonical SMILES for 2-chloro-5-[cyclopropyl(propyl)carbamoyl]-4-fluorobenzenesulfonyl chloride is CCCN(C(=O)c1cc(S(=O)(=O)Cl)c(Cl)cc1F)C1CC1.
What is the InChIKey of 2-chloro-5-[cyclopropyl(propyl)carbamoyl]-4-fluorobenzenesulfonyl chloride?
The InChIKey is REKZORLBSPMMCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14Cl2FNO3S/c1-2-5-17(8-3-4-8)13(18)9-6-12(21(15,19)20)10(14)7-11(9)16/h6-8H,2-5H2,1H3.
What are the key properties of 2-chloro-5-[cyclopropyl(propyl)carbamoyl]-4-fluorobenzenesulfonyl chloride?
2-chloro-5-[cyclopropyl(propyl)carbamoyl]-4-fluorobenzenesulfonyl chloride has a molecular weight of 354.23 g/mol, XLogP of 3.42, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-[cyclopropyl(propyl)carbamoyl]-4-fluorobenzenesulfonyl chloride is sourced from PubChem (CID 65371090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).