2-chloro-4-fluoro-5-methyl-N-propylbenzenesulfonamide

C10H13ClFNO2S — CID 165483617

IUPAC2-chloro-4-fluoro-5-methyl-N-propylbenzenesulfonamide
SMILESCCCNS(=O)(=O)c1cc(C)c(F)cc1Cl
InChIInChI=1S/C10H13ClFNO2S/c1-3-4-13-16(14,15)10-5-7(2)9(12)6-8(10)11/h5-6,13H,3-4H2,1-2H3
InChIKeyPDWCDCZBQCZLDZ-UHFFFAOYSA-N
MW265.74 g/mol
LogP2.48
Rot. Bonds4

About 2-chloro-4-fluoro-5-methyl-N-propylbenzenesulfonamide

2-chloro-4-fluoro-5-methyl-N-propylbenzenesulfonamide (PubChem CID 165483617) has the molecular formula C10H13ClFNO2S and a molecular weight of 265.74 g/mol. Its IUPAC name is 2-chloro-4-fluoro-5-methyl-N-propylbenzenesulfonamide.

Molecular Properties

Compound Name2-chloro-4-fluoro-5-methyl-N-propylbenzenesulfonamide
PubChem CID165483617
Molecular FormulaC10H13ClFNO2S
Molecular Weight265.74 g/mol
Exact Mass265.03
IUPAC Name2-chloro-4-fluoro-5-methyl-N-propylbenzenesulfonamide
SMILESCCCNS(=O)(=O)c1cc(C)c(F)cc1Cl
InChIInChI=1S/C10H13ClFNO2S/c1-3-4-13-16(14,15)10-5-7(2)9(12)6-8(10)11/h5-6,13H,3-4H2,1-2H3
InChIKeyPDWCDCZBQCZLDZ-UHFFFAOYSA-N
XLogP2.48
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.74
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-aminopropyl)-2-chloro-4-fluoro-5-methylbenzenesulfonamide;hydrochloride
CID 119962035
2-chloro-N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]-4-fluoro-5-methylbenzenesulfonamide
CID 134697084
2,5-dichloro-N-dodecyl-4-methylbenzenesulfonamide
CID 59079350
2-chloro-5-(2,2-dimethylpropanoyl)-N-ethyl-4-fluorobenzenesulfonamide
CID 58960986
2-chloro-5-fluoro-4-methylbenzenesulfonohydrazide
CID 171366796
2,4-dichloro-5-methyl-N-(3-propoxypropyl)benzenesulfonamide
CID 3830031
5-amino-2-chloro-4-fluoro-N-(3-propoxypropyl)benzenesulfonamide
CID 82949557
5-amino-3-fluoro-2-methyl-N-propylbenzenesulfonamide
CID 79896105
5-amino-2-fluoro-3-methyl-N-propylbenzenesulfonamide
CID 80645551
N-(azetidin-3-yl)-2-chloro-4-fluoro-5-methylbenzenesulfonamide
CID 122150384
N-butyl-2,7-dichloro-4-methylquinoline-6-sulfonamide
CID 99978040
5-chloro-4-methyl-2-propoxy-N-propylbenzenesulfonamide
CID 15943823

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-fluoro-5-methyl-N-propylbenzenesulfonamide?
The IUPAC name of 2-chloro-4-fluoro-5-methyl-N-propylbenzenesulfonamide (CID 165483617) is 2-chloro-4-fluoro-5-methyl-N-propylbenzenesulfonamide.
What is the SMILES notation for 2-chloro-4-fluoro-5-methyl-N-propylbenzenesulfonamide?
The canonical SMILES for 2-chloro-4-fluoro-5-methyl-N-propylbenzenesulfonamide is CCCNS(=O)(=O)c1cc(C)c(F)cc1Cl.
What is the InChIKey of 2-chloro-4-fluoro-5-methyl-N-propylbenzenesulfonamide?
The InChIKey is PDWCDCZBQCZLDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClFNO2S/c1-3-4-13-16(14,15)10-5-7(2)9(12)6-8(10)11/h5-6,13H,3-4H2,1-2H3.
What are the key properties of 2-chloro-4-fluoro-5-methyl-N-propylbenzenesulfonamide?
2-chloro-4-fluoro-5-methyl-N-propylbenzenesulfonamide has a molecular weight of 265.74 g/mol, XLogP of 2.48, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-fluoro-5-methyl-N-propylbenzenesulfonamide is sourced from PubChem (CID 165483617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).