5-chloro-2-cyano-N-(3,3-difluoro-2-hydroxypropyl)benzenesulfonamide

C10H9ClF2N2O3S — CID 103836888

IUPAC5-chloro-2-cyano-N-(3,3-difluoro-2-hydroxypropyl)benzenesulfonamide
SMILESN#Cc1ccc(Cl)cc1S(=O)(=O)NCC(O)C(F)F
InChIInChI=1S/C10H9ClF2N2O3S/c11-7-2-1-6(4-14)9(3-7)19(17,18)15-5-8(16)10(12)13/h1-3,8,10,15-16H,5H2
InChIKeyYHTCDQYHVZAVTD-UHFFFAOYSA-N
MW310.71 g/mol
LogP1.12
Rot. Bonds5

About 5-chloro-2-cyano-N-(3,3-difluoro-2-hydroxypropyl)benzenesulfonamide

5-chloro-2-cyano-N-(3,3-difluoro-2-hydroxypropyl)benzenesulfonamide (PubChem CID 103836888) has the molecular formula C10H9ClF2N2O3S and a molecular weight of 310.71 g/mol. Its IUPAC name is 5-chloro-2-cyano-N-(3,3-difluoro-2-hydroxypropyl)benzenesulfonamide.

Molecular Properties

Compound Name5-chloro-2-cyano-N-(3,3-difluoro-2-hydroxypropyl)benzenesulfonamide
PubChem CID103836888
Molecular FormulaC10H9ClF2N2O3S
Molecular Weight310.71 g/mol
Exact Mass310.00
IUPAC Name5-chloro-2-cyano-N-(3,3-difluoro-2-hydroxypropyl)benzenesulfonamide
SMILESN#Cc1ccc(Cl)cc1S(=O)(=O)NCC(O)C(F)F
InChIInChI=1S/C10H9ClF2N2O3S/c11-7-2-1-6(4-14)9(3-7)19(17,18)15-5-8(16)10(12)13/h1-3,8,10,15-16H,5H2
InChIKeyYHTCDQYHVZAVTD-UHFFFAOYSA-N
XLogP1.12
TPSA90.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.71
LogP ≤ 51.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-chloro-2-cyano-N-(3-ethyl-2-hydroxypentyl)benzenesulfonamide
CID 103835199
5-chloro-2-cyano-N-(2-hydroxy-4-methylpentyl)benzenesulfonamide
CID 103834427
5-chloro-2-cyano-N-(3-hydroxy-2-methylpropyl)benzenesulfonamide
CID 65034730
5-chloro-N-(2-chloroprop-2-enyl)-2-cyanobenzenesulfonamide
CID 115753553
5-chloro-2-cyano-N-(3-hydroxypropyl)benzenesulfonamide
CID 43501464
4-cyano-N-(3,3-difluoro-2-hydroxypropyl)-3-methylbenzenesulfonamide
CID 106833452
4-cyano-N-(3,3-difluoro-2-hydroxypropyl)-2-methylbenzenesulfonamide
CID 103836757
5-chloro-2-cyano-N-(2-ethyl-2-hydroxybutyl)benzenesulfonamide
CID 65113139
5-chloro-2-cyano-N-(1H-pyrazol-5-ylmethyl)benzenesulfonamide
CID 61284926
6-[(5-chloro-2-cyanophenyl)sulfonylamino]hexanoic acid
CID 43132394
5-chloro-2-cyano-N-[(4-hydroxycyclohexyl)methyl]benzenesulfonamide
CID 106126720
N-(3,3-difluoro-2-hydroxypropyl)-2,4-difluorobenzenesulfonamide
CID 113318786

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-cyano-N-(3,3-difluoro-2-hydroxypropyl)benzenesulfonamide?
The IUPAC name of 5-chloro-2-cyano-N-(3,3-difluoro-2-hydroxypropyl)benzenesulfonamide (CID 103836888) is 5-chloro-2-cyano-N-(3,3-difluoro-2-hydroxypropyl)benzenesulfonamide.
What is the SMILES notation for 5-chloro-2-cyano-N-(3,3-difluoro-2-hydroxypropyl)benzenesulfonamide?
The canonical SMILES for 5-chloro-2-cyano-N-(3,3-difluoro-2-hydroxypropyl)benzenesulfonamide is N#Cc1ccc(Cl)cc1S(=O)(=O)NCC(O)C(F)F.
What is the InChIKey of 5-chloro-2-cyano-N-(3,3-difluoro-2-hydroxypropyl)benzenesulfonamide?
The InChIKey is YHTCDQYHVZAVTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClF2N2O3S/c11-7-2-1-6(4-14)9(3-7)19(17,18)15-5-8(16)10(12)13/h1-3,8,10,15-16H,5H2.
What are the key properties of 5-chloro-2-cyano-N-(3,3-difluoro-2-hydroxypropyl)benzenesulfonamide?
5-chloro-2-cyano-N-(3,3-difluoro-2-hydroxypropyl)benzenesulfonamide has a molecular weight of 310.71 g/mol, XLogP of 1.12, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-cyano-N-(3,3-difluoro-2-hydroxypropyl)benzenesulfonamide is sourced from PubChem (CID 103836888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).