2,4-dichloro-N-[[4-(trifluoromethyl)phenyl]methyl]benzenesulfonamide

C14H10Cl2F3NO2S — CID 3332822

IUPAC2,4-dichloro-N-[[4-(trifluoromethyl)phenyl]methyl]benzenesulfonamide
SMILESO=S(=O)(NCc1ccc(C(F)(F)F)cc1)c1ccc(Cl)cc1Cl
InChIInChI=1S/C14H10Cl2F3NO2S/c15-11-5-6-13(12(16)7-11)23(21,22)20-8-9-1-3-10(4-2-9)14(17,18)19/h1-7,20H,8H2
InChIKeySNWHOVBPCZAOLK-UHFFFAOYSA-N
MW384.21 g/mol
LogP4.49
Rot. Bonds4

About 2,4-dichloro-N-[[4-(trifluoromethyl)phenyl]methyl]benzenesulfonamide

2,4-dichloro-N-[[4-(trifluoromethyl)phenyl]methyl]benzenesulfonamide (PubChem CID 3332822) has the molecular formula C14H10Cl2F3NO2S and a molecular weight of 384.21 g/mol. Its IUPAC name is 2,4-dichloro-N-[[4-(trifluoromethyl)phenyl]methyl]benzenesulfonamide.

Molecular Properties

Compound Name2,4-dichloro-N-[[4-(trifluoromethyl)phenyl]methyl]benzenesulfonamide
PubChem CID3332822
Molecular FormulaC14H10Cl2F3NO2S
Molecular Weight384.21 g/mol
Exact Mass382.98
IUPAC Name2,4-dichloro-N-[[4-(trifluoromethyl)phenyl]methyl]benzenesulfonamide
SMILESO=S(=O)(NCc1ccc(C(F)(F)F)cc1)c1ccc(Cl)cc1Cl
InChIInChI=1S/C14H10Cl2F3NO2S/c15-11-5-6-13(12(16)7-11)23(21,22)20-8-9-1-3-10(4-2-9)14(17,18)19/h1-7,20H,8H2
InChIKeySNWHOVBPCZAOLK-UHFFFAOYSA-N
XLogP4.49
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.21
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(4-bromophenyl)methyl]-2,4-dichlorobenzenesulfonamide
CID 3842755
5-chloro-2-methoxy-N-[[4-(trifluoromethyl)phenyl]methyl]benzenesulfonamide
CID 4982528
2,4-difluoro-N-[[4-(trifluoromethyl)phenyl]methyl]benzenesulfonamide
CID 27305807
3,4-difluoro-N-[[4-(trifluoromethyl)phenyl]methyl]benzenesulfonamide
CID 3520155
2,4-dichloro-N-[(3-chloro-2,6-difluorophenyl)methyl]benzenesulfonamide
CID 3710216
N-[[4-(aminomethyl)phenyl]methyl]-4-chloro-2-fluorobenzenesulfonamide
CID 81094378
N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-3,5-dichloro-2-hydroxybenzenesulfonamide
CID 3867018
2,4-dichloro-N-[(2-chlorophenyl)methyl]benzenesulfonamide
CID 125467959
3,5-dichloro-N-[(4-chlorophenyl)methyl]-2-hydroxybenzenesulfonamide
CID 21227266
N-[(4-aminophenyl)methyl]-2,5-dichlorobenzenesulfonamide
CID 43604538
4-chloro-2-fluoro-N-[[4-(trifluoromethyl)phenyl]methyl]aniline
CID 43425410
N-[[4-(trifluoromethyl)phenyl]methyl]methanesulfonamide
CID 4637501

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-N-[[4-(trifluoromethyl)phenyl]methyl]benzenesulfonamide?
The IUPAC name of 2,4-dichloro-N-[[4-(trifluoromethyl)phenyl]methyl]benzenesulfonamide (CID 3332822) is 2,4-dichloro-N-[[4-(trifluoromethyl)phenyl]methyl]benzenesulfonamide.
What is the SMILES notation for 2,4-dichloro-N-[[4-(trifluoromethyl)phenyl]methyl]benzenesulfonamide?
The canonical SMILES for 2,4-dichloro-N-[[4-(trifluoromethyl)phenyl]methyl]benzenesulfonamide is O=S(=O)(NCc1ccc(C(F)(F)F)cc1)c1ccc(Cl)cc1Cl.
What is the InChIKey of 2,4-dichloro-N-[[4-(trifluoromethyl)phenyl]methyl]benzenesulfonamide?
The InChIKey is SNWHOVBPCZAOLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10Cl2F3NO2S/c15-11-5-6-13(12(16)7-11)23(21,22)20-8-9-1-3-10(4-2-9)14(17,18)19/h1-7,20H,8H2.
What are the key properties of 2,4-dichloro-N-[[4-(trifluoromethyl)phenyl]methyl]benzenesulfonamide?
2,4-dichloro-N-[[4-(trifluoromethyl)phenyl]methyl]benzenesulfonamide has a molecular weight of 384.21 g/mol, XLogP of 4.49, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-N-[[4-(trifluoromethyl)phenyl]methyl]benzenesulfonamide is sourced from PubChem (CID 3332822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).