N-[4-[(3-chloro-2-methylphenyl)sulfamoyl]phenyl]-3-(trifluoromethyl)benzenesulfonamide

C20H16ClF3N2O4S2 — CID 175722965

IUPACN-[4-[(3-chloro-2-methylphenyl)sulfamoyl]phenyl]-3-(trifluoromethyl)benzenesulfonamide
SMILESCc1c(Cl)cccc1NS(=O)(=O)c1ccc(NS(=O)(=O)c2cccc(C(F)(F)F)c2)cc1
InChIInChI=1S/C20H16ClF3N2O4S2/c1-13-18(21)6-3-7-19(13)26-31(27,28)16-10-8-15(9-11-16)25-32(29,30)17-5-2-4-14(12-17)20(22,23)24/h2-12,25-26H,1H3
InChIKeyYDHCXKDJZBMFOM-UHFFFAOYSA-N
MW504.94 g/mol
LogP5.27
Rot. Bonds6

About N-[4-[(3-chloro-2-methylphenyl)sulfamoyl]phenyl]-3-(trifluoromethyl)benzenesulfonamide

N-[4-[(3-chloro-2-methylphenyl)sulfamoyl]phenyl]-3-(trifluoromethyl)benzenesulfonamide (PubChem CID 175722965) has the molecular formula C20H16ClF3N2O4S2 and a molecular weight of 504.94 g/mol. Its IUPAC name is N-[4-[(3-chloro-2-methylphenyl)sulfamoyl]phenyl]-3-(trifluoromethyl)benzenesulfonamide.

Molecular Properties

Compound NameN-[4-[(3-chloro-2-methylphenyl)sulfamoyl]phenyl]-3-(trifluoromethyl)benzenesulfonamide
PubChem CID175722965
Molecular FormulaC20H16ClF3N2O4S2
Molecular Weight504.94 g/mol
Exact Mass504.02
IUPAC NameN-[4-[(3-chloro-2-methylphenyl)sulfamoyl]phenyl]-3-(trifluoromethyl)benzenesulfonamide
SMILESCc1c(Cl)cccc1NS(=O)(=O)c1ccc(NS(=O)(=O)c2cccc(C(F)(F)F)c2)cc1
InChIInChI=1S/C20H16ClF3N2O4S2/c1-13-18(21)6-3-7-19(13)26-31(27,28)16-10-8-15(9-11-16)25-32(29,30)17-5-2-4-14(12-17)20(22,23)24/h2-12,25-26H,1H3
InChIKeyYDHCXKDJZBMFOM-UHFFFAOYSA-N
XLogP5.27
TPSA92.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500504.94
LogP ≤ 55.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3,4-dichlorophenyl)-3-(trifluoromethyl)benzenesulfonamide
CID 3827333
N-[4-[(3-chloro-2-methylphenyl)sulfamoyl]phenyl]-3-methyl-4-nitrobenzenesulfonamide
CID 175722759
N-(3-chloro-2-methylphenyl)-4-fluorobenzenesulfonamide
CID 711089
N-[4-[[3-(trifluoromethyl)phenyl]sulfonylamino]phenyl]acetamide
CID 2465067
N-(3-chloro-2-methylphenyl)-4-fluoro-3-methylbenzenesulfonamide
CID 1256135
3-amino-N-(3-chloro-2-methylphenyl)benzenesulfonamide
CID 18070649
4-[[3-(trifluoromethyl)phenyl]sulfonylamino]benzoic acid
CID 697781
N-(4-iodo-2-methylphenyl)-3-(trifluoromethyl)benzenesulfonamide
CID 3729383
N-(6-chloro-3-pyridinyl)-3-(trifluoromethyl)benzenesulfonamide
CID 3851411
N-(2,6-dichlorophenyl)-4-(trifluoromethyl)benzenesulfonamide
CID 112769183
N-(3-chloro-2-methylphenyl)-3-cyanobenzenesulfonamide
CID 7938773
N-(3-chloro-2-methylphenyl)-3-(hydroxymethyl)benzenesulfonamide
CID 107318048

Frequently Asked Questions

What is the IUPAC name of N-[4-[(3-chloro-2-methylphenyl)sulfamoyl]phenyl]-3-(trifluoromethyl)benzenesulfonamide?
The IUPAC name of N-[4-[(3-chloro-2-methylphenyl)sulfamoyl]phenyl]-3-(trifluoromethyl)benzenesulfonamide (CID 175722965) is N-[4-[(3-chloro-2-methylphenyl)sulfamoyl]phenyl]-3-(trifluoromethyl)benzenesulfonamide.
What is the SMILES notation for N-[4-[(3-chloro-2-methylphenyl)sulfamoyl]phenyl]-3-(trifluoromethyl)benzenesulfonamide?
The canonical SMILES for N-[4-[(3-chloro-2-methylphenyl)sulfamoyl]phenyl]-3-(trifluoromethyl)benzenesulfonamide is Cc1c(Cl)cccc1NS(=O)(=O)c1ccc(NS(=O)(=O)c2cccc(C(F)(F)F)c2)cc1.
What is the InChIKey of N-[4-[(3-chloro-2-methylphenyl)sulfamoyl]phenyl]-3-(trifluoromethyl)benzenesulfonamide?
The InChIKey is YDHCXKDJZBMFOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16ClF3N2O4S2/c1-13-18(21)6-3-7-19(13)26-31(27,28)16-10-8-15(9-11-16)25-32(29,30)17-5-2-4-14(12-17)20(22,23)24/h2-12,25-26H,1H3.
What are the key properties of N-[4-[(3-chloro-2-methylphenyl)sulfamoyl]phenyl]-3-(trifluoromethyl)benzenesulfonamide?
N-[4-[(3-chloro-2-methylphenyl)sulfamoyl]phenyl]-3-(trifluoromethyl)benzenesulfonamide has a molecular weight of 504.94 g/mol, XLogP of 5.27, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(3-chloro-2-methylphenyl)sulfamoyl]phenyl]-3-(trifluoromethyl)benzenesulfonamide is sourced from PubChem (CID 175722965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).