3-chloro-N-(cyclopropylmethyl)-4-fluorobenzenesulfonamide

C10H11ClFNO2S — CID 582392

IUPAC3-chloro-N-(cyclopropylmethyl)-4-fluorobenzenesulfonamide
SMILESO=S(=O)(NCC1CC1)c1ccc(F)c(Cl)c1
InChIInChI=1S/C10H11ClFNO2S/c11-9-5-8(3-4-10(9)12)16(14,15)13-6-7-1-2-7/h3-5,7,13H,1-2,6H2
InChIKeyRZEFGBOSIGEEMB-UHFFFAOYSA-N
MW263.72 g/mol
LogP2.17
Rot. Bonds4

About 3-chloro-N-(cyclopropylmethyl)-4-fluorobenzenesulfonamide

3-chloro-N-(cyclopropylmethyl)-4-fluorobenzenesulfonamide (PubChem CID 582392) has the molecular formula C10H11ClFNO2S and a molecular weight of 263.72 g/mol. Its IUPAC name is 3-chloro-N-(cyclopropylmethyl)-4-fluorobenzenesulfonamide.

Molecular Properties

Compound Name3-chloro-N-(cyclopropylmethyl)-4-fluorobenzenesulfonamide
PubChem CID582392
Molecular FormulaC10H11ClFNO2S
Molecular Weight263.72 g/mol
Exact Mass263.02
IUPAC Name3-chloro-N-(cyclopropylmethyl)-4-fluorobenzenesulfonamide
SMILESO=S(=O)(NCC1CC1)c1ccc(F)c(Cl)c1
InChIInChI=1S/C10H11ClFNO2S/c11-9-5-8(3-4-10(9)12)16(14,15)13-6-7-1-2-7/h3-5,7,13H,1-2,6H2
InChIKeyRZEFGBOSIGEEMB-UHFFFAOYSA-N
XLogP2.17
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.72
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-Butyl-4-chlorobenzenesulfonamide
CID 101303
3,5-dichloro-N-(cyclopropylmethyl)benzenesulfonamide
CID 2799391
4-chloro-N-[2-(2,2-dichlorocyclopropyl)ethyl]benzenesulfonamide
CID 2805890
N-[2-(2,2-dichlorocyclopropyl)ethyl]benzenesulfonamide
CID 2805893
4-chloro-N-cyclopropylbenzenesulfonamide
CID 847957
4-Chloro-n-propylbenzenesulfonamide
CID 101302
4-chloro-N-cyclopropyl-2-fluorobenzenesulfonamide
CID 2440653
3-chloro-N-cycloheptylbenzene-1-sulfonamide
CID 2415602
3-chloro-N-methylbenzenesulfonamide
CID 4535700
2-chloro-N-cyclopropyl-4-fluorobenzene-1-sulfonamide
CID 60728526
3-chloro-4-fluoro-N-phenethylbenzenesulfonamide
CID 891194
3-chloro-4-fluoro-N-(2-methoxyethyl)benzenesulfonamide
CID 1582729

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-(cyclopropylmethyl)-4-fluorobenzenesulfonamide?
The IUPAC name of 3-chloro-N-(cyclopropylmethyl)-4-fluorobenzenesulfonamide (CID 582392) is 3-chloro-N-(cyclopropylmethyl)-4-fluorobenzenesulfonamide.
What is the SMILES notation for 3-chloro-N-(cyclopropylmethyl)-4-fluorobenzenesulfonamide?
The canonical SMILES for 3-chloro-N-(cyclopropylmethyl)-4-fluorobenzenesulfonamide is O=S(=O)(NCC1CC1)c1ccc(F)c(Cl)c1.
What is the InChIKey of 3-chloro-N-(cyclopropylmethyl)-4-fluorobenzenesulfonamide?
The InChIKey is RZEFGBOSIGEEMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClFNO2S/c11-9-5-8(3-4-10(9)12)16(14,15)13-6-7-1-2-7/h3-5,7,13H,1-2,6H2.
What are the key properties of 3-chloro-N-(cyclopropylmethyl)-4-fluorobenzenesulfonamide?
3-chloro-N-(cyclopropylmethyl)-4-fluorobenzenesulfonamide has a molecular weight of 263.72 g/mol, XLogP of 2.17, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-(cyclopropylmethyl)-4-fluorobenzenesulfonamide is sourced from PubChem (CID 582392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).