3-chloro-N-cyclopropyl-4-phenyl-5-(trifluoromethyl)benzenesulfonamide

C16H13ClF3NO2S — CID 174761203

IUPAC3-chloro-N-cyclopropyl-4-phenyl-5-(trifluoromethyl)benzenesulfonamide
SMILESO=S(=O)(NC1CC1)c1cc(Cl)c(-c2ccccc2)c(C(F)(F)F)c1
InChIInChI=1S/C16H13ClF3NO2S/c17-14-9-12(24(22,23)21-11-6-7-11)8-13(16(18,19)20)15(14)10-4-2-1-3-5-10/h1-5,8-9,11,21H,6-7H2
InChIKeyMSAUGAHQFACEIZ-UHFFFAOYSA-N
MW375.80 g/mol
LogP4.47
Rot. Bonds4

About 3-chloro-N-cyclopropyl-4-phenyl-5-(trifluoromethyl)benzenesulfonamide

3-chloro-N-cyclopropyl-4-phenyl-5-(trifluoromethyl)benzenesulfonamide (PubChem CID 174761203) has the molecular formula C16H13ClF3NO2S and a molecular weight of 375.80 g/mol. Its IUPAC name is 3-chloro-N-cyclopropyl-4-phenyl-5-(trifluoromethyl)benzenesulfonamide.

Molecular Properties

Compound Name3-chloro-N-cyclopropyl-4-phenyl-5-(trifluoromethyl)benzenesulfonamide
PubChem CID174761203
Molecular FormulaC16H13ClF3NO2S
Molecular Weight375.80 g/mol
Exact Mass375.03
IUPAC Name3-chloro-N-cyclopropyl-4-phenyl-5-(trifluoromethyl)benzenesulfonamide
SMILESO=S(=O)(NC1CC1)c1cc(Cl)c(-c2ccccc2)c(C(F)(F)F)c1
InChIInChI=1S/C16H13ClF3NO2S/c17-14-9-12(24(22,23)21-11-6-7-11)8-13(16(18,19)20)15(14)10-4-2-1-3-5-10/h1-5,8-9,11,21H,6-7H2
InChIKeyMSAUGAHQFACEIZ-UHFFFAOYSA-N
XLogP4.47
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.80
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-aminocyclohexyl)-4-chloro-3-(trifluoromethyl)benzenesulfonamide;hydrochloride
CID 119970603
4-(cyclopropylsulfamoyl)-2-(trifluoromethyl)benzoic acid
CID 68756811
N-cyclopropyl-4-phenylbenzenesulfonamide
CID 110757630
3,5-dichloro-N-cyclopropylbenzenesulfonamide
CID 26947993
4-chloro-N-[(3S)-piperidin-3-yl]-3-(trifluoromethyl)benzenesulfonamide
CID 104982544
4-chloro-N-[(3R)-piperidin-3-yl]-3-(trifluoromethyl)benzenesulfonamide
CID 104645676
4-chloro-N-piperidin-3-yl-3-(trifluoromethyl)benzenesulfonamide;hydrochloride
CID 119964194
N-cyclohexyl-4-fluoro-3-(trifluoromethyl)benzenesulfonamide
CID 52746543
4-bromo-N-cyclobutyl-3-(trifluoromethyl)benzenesulfonamide
CID 165368850
2-[2-chloro-4-(cyclohexylsulfamoyl)phenoxy]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 1008131
N-(4-oxocyclohexyl)-4-phenylbenzenesulfonamide
CID 67130795
3-N-cyclopropyl-1-N-[4-(trifluoromethyl)cyclohexyl]benzene-1,3-disulfonamide
CID 78842483

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-cyclopropyl-4-phenyl-5-(trifluoromethyl)benzenesulfonamide?
The IUPAC name of 3-chloro-N-cyclopropyl-4-phenyl-5-(trifluoromethyl)benzenesulfonamide (CID 174761203) is 3-chloro-N-cyclopropyl-4-phenyl-5-(trifluoromethyl)benzenesulfonamide.
What is the SMILES notation for 3-chloro-N-cyclopropyl-4-phenyl-5-(trifluoromethyl)benzenesulfonamide?
The canonical SMILES for 3-chloro-N-cyclopropyl-4-phenyl-5-(trifluoromethyl)benzenesulfonamide is O=S(=O)(NC1CC1)c1cc(Cl)c(-c2ccccc2)c(C(F)(F)F)c1.
What is the InChIKey of 3-chloro-N-cyclopropyl-4-phenyl-5-(trifluoromethyl)benzenesulfonamide?
The InChIKey is MSAUGAHQFACEIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClF3NO2S/c17-14-9-12(24(22,23)21-11-6-7-11)8-13(16(18,19)20)15(14)10-4-2-1-3-5-10/h1-5,8-9,11,21H,6-7H2.
What are the key properties of 3-chloro-N-cyclopropyl-4-phenyl-5-(trifluoromethyl)benzenesulfonamide?
3-chloro-N-cyclopropyl-4-phenyl-5-(trifluoromethyl)benzenesulfonamide has a molecular weight of 375.80 g/mol, XLogP of 4.47, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-cyclopropyl-4-phenyl-5-(trifluoromethyl)benzenesulfonamide is sourced from PubChem (CID 174761203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).