4-(4-chloro-2-fluorophenyl)-N-[3-(hydroxymethyl)phenyl]benzenesulfonamide

C19H15ClFNO3S — CID 25098085

IUPAC4-(4-chloro-2-fluorophenyl)-N-[3-(hydroxymethyl)phenyl]benzenesulfonamide
SMILESO=S(=O)(Nc1cccc(CO)c1)c1ccc(-c2ccc(Cl)cc2F)cc1
InChIInChI=1S/C19H15ClFNO3S/c20-15-6-9-18(19(21)11-15)14-4-7-17(8-5-14)26(24,25)22-16-3-1-2-13(10-16)12-23/h1-11,22-23H,12H2
InChIKeyXOGMVMSNSCCFPN-UHFFFAOYSA-N
MW391.85 g/mol
LogP4.44
Rot. Bonds5

About 4-(4-chloro-2-fluorophenyl)-N-[3-(hydroxymethyl)phenyl]benzenesulfonamide

4-(4-chloro-2-fluorophenyl)-N-[3-(hydroxymethyl)phenyl]benzenesulfonamide (PubChem CID 25098085) has the molecular formula C19H15ClFNO3S and a molecular weight of 391.85 g/mol. Its IUPAC name is 4-(4-chloro-2-fluorophenyl)-N-[3-(hydroxymethyl)phenyl]benzenesulfonamide.

Molecular Properties

Compound Name4-(4-chloro-2-fluorophenyl)-N-[3-(hydroxymethyl)phenyl]benzenesulfonamide
PubChem CID25098085
Molecular FormulaC19H15ClFNO3S
Molecular Weight391.85 g/mol
Exact Mass391.04
IUPAC Name4-(4-chloro-2-fluorophenyl)-N-[3-(hydroxymethyl)phenyl]benzenesulfonamide
SMILESO=S(=O)(Nc1cccc(CO)c1)c1ccc(-c2ccc(Cl)cc2F)cc1
InChIInChI=1S/C19H15ClFNO3S/c20-15-6-9-18(19(21)11-15)14-4-7-17(8-5-14)26(24,25)22-16-3-1-2-13(10-16)12-23/h1-11,22-23H,12H2
InChIKeyXOGMVMSNSCCFPN-UHFFFAOYSA-N
XLogP4.44
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.85
LogP ≤ 54.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[4-[(3-Aminophenyl)-hydroxymethyl]phenyl]benzenesulfonamide
CID 156010186
4-(2,4-difluorophenyl)-N-[3-(hydroxymethyl)phenyl]benzenesulfonamide
CID 25097035
4-(2,4-difluorophenyl)-N-[3-(hydroxymethyl)phenyl]-3-methylbenzenesulfonamide
CID 25097265
2',4'-dichloro-N-(3-(hydroxymethyl)phenyl)biphenyl-4-sulfonamide
CID 25097269
4-(4-bromo-2-fluorophenyl)-N-[3-(hydroxymethyl)phenyl]benzenesulfonamide
CID 25097521
4-(2,4-difluorophenyl)-N-[3-(hydroxymethyl)-2-methylphenyl]benzenesulfonamide
CID 25097525
N-[3,4-bis(hydroxymethyl)phenyl]-4-(2,4-difluorophenyl)benzenesulfonamide
CID 25098083
N-[3,4-bis(hydroxymethyl)phenyl]-4-(4-fluorophenyl)benzenesulfonamide
CID 25098084
4-(4-fluorophenyl)-N-[3-(hydroxymethyl)-2-methylphenyl]benzenesulfonamide
CID 25098088
4-(2,4-difluorophenyl)-N-[3-(hydroxymethyl)-2-methylphenyl]-3-methylbenzenesulfonamide
CID 71717422
4-(4-chlorophenyl)-N-[3-(hydroxymethyl)phenyl]benzenesulfonamide
CID 25097270
N-[3-(hydroxymethyl)phenyl]-4-[4-(trifluoromethyl)phenyl]benzenesulfonamide
CID 25097271

Frequently Asked Questions

What is the IUPAC name of 4-(4-chloro-2-fluorophenyl)-N-[3-(hydroxymethyl)phenyl]benzenesulfonamide?
The IUPAC name of 4-(4-chloro-2-fluorophenyl)-N-[3-(hydroxymethyl)phenyl]benzenesulfonamide (CID 25098085) is 4-(4-chloro-2-fluorophenyl)-N-[3-(hydroxymethyl)phenyl]benzenesulfonamide.
What is the SMILES notation for 4-(4-chloro-2-fluorophenyl)-N-[3-(hydroxymethyl)phenyl]benzenesulfonamide?
The canonical SMILES for 4-(4-chloro-2-fluorophenyl)-N-[3-(hydroxymethyl)phenyl]benzenesulfonamide is O=S(=O)(Nc1cccc(CO)c1)c1ccc(-c2ccc(Cl)cc2F)cc1.
What is the InChIKey of 4-(4-chloro-2-fluorophenyl)-N-[3-(hydroxymethyl)phenyl]benzenesulfonamide?
The InChIKey is XOGMVMSNSCCFPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15ClFNO3S/c20-15-6-9-18(19(21)11-15)14-4-7-17(8-5-14)26(24,25)22-16-3-1-2-13(10-16)12-23/h1-11,22-23H,12H2.
What are the key properties of 4-(4-chloro-2-fluorophenyl)-N-[3-(hydroxymethyl)phenyl]benzenesulfonamide?
4-(4-chloro-2-fluorophenyl)-N-[3-(hydroxymethyl)phenyl]benzenesulfonamide has a molecular weight of 391.85 g/mol, XLogP of 4.44, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chloro-2-fluorophenyl)-N-[3-(hydroxymethyl)phenyl]benzenesulfonamide is sourced from PubChem (CID 25098085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).