3-fluoro-2-methyl-5-[propan-2-yl(propyl)carbamoyl]benzenesulfonyl chloride

C14H19ClFNO3S — CID 65372237

IUPAC3-fluoro-2-methyl-5-[propan-2-yl(propyl)carbamoyl]benzenesulfonyl chloride
SMILESCCCN(C(=O)c1cc(F)c(C)c(S(=O)(=O)Cl)c1)C(C)C
InChIInChI=1S/C14H19ClFNO3S/c1-5-6-17(9(2)3)14(18)11-7-12(16)10(4)13(8-11)21(15,19)20/h7-9H,5-6H2,1-4H3
InChIKeyHZCGYLFVXQOXNX-UHFFFAOYSA-N
MW335.83 g/mol
LogP3.32
Rot. Bonds5

About 3-fluoro-2-methyl-5-[propan-2-yl(propyl)carbamoyl]benzenesulfonyl chloride

3-fluoro-2-methyl-5-[propan-2-yl(propyl)carbamoyl]benzenesulfonyl chloride (PubChem CID 65372237) has the molecular formula C14H19ClFNO3S and a molecular weight of 335.83 g/mol. Its IUPAC name is 3-fluoro-2-methyl-5-[propan-2-yl(propyl)carbamoyl]benzenesulfonyl chloride.

Molecular Properties

Compound Name3-fluoro-2-methyl-5-[propan-2-yl(propyl)carbamoyl]benzenesulfonyl chloride
PubChem CID65372237
Molecular FormulaC14H19ClFNO3S
Molecular Weight335.83 g/mol
Exact Mass335.08
IUPAC Name3-fluoro-2-methyl-5-[propan-2-yl(propyl)carbamoyl]benzenesulfonyl chloride
SMILESCCCN(C(=O)c1cc(F)c(C)c(S(=O)(=O)Cl)c1)C(C)C
InChIInChI=1S/C14H19ClFNO3S/c1-5-6-17(9(2)3)14(18)11-7-12(16)10(4)13(8-11)21(15,19)20/h7-9H,5-6H2,1-4H3
InChIKeyHZCGYLFVXQOXNX-UHFFFAOYSA-N
XLogP3.32
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.83
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 3-fluoro-2-methyl-5-[propan-2-yl(propyl)carbamoyl]benzenesulfonyl 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

2,4-difluoro-5-[propan-2-yl(propyl)carbamoyl]benzenesulfonyl chloride
CID 65371660
5-[ethyl(propan-2-yl)carbamoyl]-2-fluoro-3-methylbenzenesulfonyl chloride
CID 65371075
3-chlorosulfonyl-5-fluoro-4-methylbenzoic acid
CID 16775741
3-fluoro-5-[3-methoxypropyl(methyl)carbamoyl]-2-methylbenzenesulfonyl chloride
CID 65397034
4-[propan-2-yl(propyl)carbamoyl]benzenesulfonyl chloride
CID 43269658
3-[ethyl(propyl)carbamoyl]-5-fluoro-2-methylbenzenesulfonyl chloride
CID 65371849
3-fluoro-2-methoxy-5-[methyl(propyl)carbamoyl]benzenesulfonyl chloride
CID 65371862
N-cyclopropyl-3-fluoro-4-methyl-N-propyl-5-sulfamoylbenzamide
CID 65386408
2-bromo-5-[ethyl(2-methylpropyl)carbamoyl]-3-fluorobenzenesulfonyl chloride
CID 65372257
5-chloro-3-[ethyl(propan-2-yl)carbamoyl]-2-methylbenzenesulfonyl chloride
CID 82891061
5-chloro-2-methyl-N-propan-2-yl-N-propyl-3-sulfamoylbenzamide
CID 82878197
4-fluoro-3-methyl-N,N-dipropylbenzamide
CID 63212171

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-2-methyl-5-[propan-2-yl(propyl)carbamoyl]benzenesulfonyl chloride?
The IUPAC name of 3-fluoro-2-methyl-5-[propan-2-yl(propyl)carbamoyl]benzenesulfonyl chloride (CID 65372237) is 3-fluoro-2-methyl-5-[propan-2-yl(propyl)carbamoyl]benzenesulfonyl chloride.
What is the SMILES notation for 3-fluoro-2-methyl-5-[propan-2-yl(propyl)carbamoyl]benzenesulfonyl chloride?
The canonical SMILES for 3-fluoro-2-methyl-5-[propan-2-yl(propyl)carbamoyl]benzenesulfonyl chloride is CCCN(C(=O)c1cc(F)c(C)c(S(=O)(=O)Cl)c1)C(C)C.
What is the InChIKey of 3-fluoro-2-methyl-5-[propan-2-yl(propyl)carbamoyl]benzenesulfonyl chloride?
The InChIKey is HZCGYLFVXQOXNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClFNO3S/c1-5-6-17(9(2)3)14(18)11-7-12(16)10(4)13(8-11)21(15,19)20/h7-9H,5-6H2,1-4H3.
What are the key properties of 3-fluoro-2-methyl-5-[propan-2-yl(propyl)carbamoyl]benzenesulfonyl chloride?
3-fluoro-2-methyl-5-[propan-2-yl(propyl)carbamoyl]benzenesulfonyl chloride has a molecular weight of 335.83 g/mol, XLogP of 3.32, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-2-methyl-5-[propan-2-yl(propyl)carbamoyl]benzenesulfonyl chloride is sourced from PubChem (CID 65372237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).