4-chloro-N-(2,5-difluorophenyl)-N-(1-hydroxypropan-2-yl)benzenesulfonamide

C15H14ClF2NO3S — CID 22275591

IUPAC4-chloro-N-(2,5-difluorophenyl)-N-(1-hydroxypropan-2-yl)benzenesulfonamide
SMILESCC(CO)N(c1cc(F)ccc1F)S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C15H14ClF2NO3S/c1-10(9-20)19(15-8-12(17)4-7-14(15)18)23(21,22)13-5-2-11(16)3-6-13/h2-8,10,20H,9H2,1H3
InChIKeyVWGCYFFHTNPOHC-UHFFFAOYSA-N
MW361.80 g/mol
LogP3.19
Rot. Bonds5

About 4-chloro-N-(2,5-difluorophenyl)-N-(1-hydroxypropan-2-yl)benzenesulfonamide

4-chloro-N-(2,5-difluorophenyl)-N-(1-hydroxypropan-2-yl)benzenesulfonamide (PubChem CID 22275591) has the molecular formula C15H14ClF2NO3S and a molecular weight of 361.80 g/mol. Its IUPAC name is 4-chloro-N-(2,5-difluorophenyl)-N-(1-hydroxypropan-2-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-chloro-N-(2,5-difluorophenyl)-N-(1-hydroxypropan-2-yl)benzenesulfonamide
PubChem CID22275591
Molecular FormulaC15H14ClF2NO3S
Molecular Weight361.80 g/mol
Exact Mass361.04
IUPAC Name4-chloro-N-(2,5-difluorophenyl)-N-(1-hydroxypropan-2-yl)benzenesulfonamide
SMILESCC(CO)N(c1cc(F)ccc1F)S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C15H14ClF2NO3S/c1-10(9-20)19(15-8-12(17)4-7-14(15)18)23(21,22)13-5-2-11(16)3-6-13/h2-8,10,20H,9H2,1H3
InChIKeyVWGCYFFHTNPOHC-UHFFFAOYSA-N
XLogP3.19
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.80
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(2,5-difluorophenyl)-N-(1-hydroxypropan-2-yl)benzenesulfonamide?
The IUPAC name of 4-chloro-N-(2,5-difluorophenyl)-N-(1-hydroxypropan-2-yl)benzenesulfonamide (CID 22275591) is 4-chloro-N-(2,5-difluorophenyl)-N-(1-hydroxypropan-2-yl)benzenesulfonamide.
What is the SMILES notation for 4-chloro-N-(2,5-difluorophenyl)-N-(1-hydroxypropan-2-yl)benzenesulfonamide?
The canonical SMILES for 4-chloro-N-(2,5-difluorophenyl)-N-(1-hydroxypropan-2-yl)benzenesulfonamide is CC(CO)N(c1cc(F)ccc1F)S(=O)(=O)c1ccc(Cl)cc1.
What is the InChIKey of 4-chloro-N-(2,5-difluorophenyl)-N-(1-hydroxypropan-2-yl)benzenesulfonamide?
The InChIKey is VWGCYFFHTNPOHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClF2NO3S/c1-10(9-20)19(15-8-12(17)4-7-14(15)18)23(21,22)13-5-2-11(16)3-6-13/h2-8,10,20H,9H2,1H3.
What are the key properties of 4-chloro-N-(2,5-difluorophenyl)-N-(1-hydroxypropan-2-yl)benzenesulfonamide?
4-chloro-N-(2,5-difluorophenyl)-N-(1-hydroxypropan-2-yl)benzenesulfonamide has a molecular weight of 361.80 g/mol, XLogP of 3.19, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(2,5-difluorophenyl)-N-(1-hydroxypropan-2-yl)benzenesulfonamide is sourced from PubChem (CID 22275591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).