N-(4-bromo-3-chlorophenyl)-2-(hydroxymethyl)benzenesulfonamide

C13H11BrClNO3S — CID 106000455

IUPACN-(4-bromo-3-chlorophenyl)-2-(hydroxymethyl)benzenesulfonamide
SMILESO=S(=O)(Nc1ccc(Br)c(Cl)c1)c1ccccc1CO
InChIInChI=1S/C13H11BrClNO3S/c14-11-6-5-10(7-12(11)15)16-20(18,19)13-4-2-1-3-9(13)8-17/h1-7,16-17H,8H2
InChIKeyQNNSUFKLJYRTLW-UHFFFAOYSA-N
MW376.66 g/mol
LogP3.40
Rot. Bonds4

About N-(4-bromo-3-chlorophenyl)-2-(hydroxymethyl)benzenesulfonamide

N-(4-bromo-3-chlorophenyl)-2-(hydroxymethyl)benzenesulfonamide (PubChem CID 106000455) has the molecular formula C13H11BrClNO3S and a molecular weight of 376.66 g/mol. Its IUPAC name is N-(4-bromo-3-chlorophenyl)-2-(hydroxymethyl)benzenesulfonamide.

Molecular Properties

Compound NameN-(4-bromo-3-chlorophenyl)-2-(hydroxymethyl)benzenesulfonamide
PubChem CID106000455
Molecular FormulaC13H11BrClNO3S
Molecular Weight376.66 g/mol
Exact Mass374.93
IUPAC NameN-(4-bromo-3-chlorophenyl)-2-(hydroxymethyl)benzenesulfonamide
SMILESO=S(=O)(Nc1ccc(Br)c(Cl)c1)c1ccccc1CO
InChIInChI=1S/C13H11BrClNO3S/c14-11-6-5-10(7-12(11)15)16-20(18,19)13-4-2-1-3-9(13)8-17/h1-7,16-17H,8H2
InChIKeyQNNSUFKLJYRTLW-UHFFFAOYSA-N
XLogP3.40
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.66
LogP ≤ 53.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-bromo-3-chlorophenyl)-2-nitrobenzenesulfonamide
CID 4876033
N-(3-bromo-4-chlorophenyl)-2-hydroxybenzenesulfonamide
CID 81245009
5-amino-N-(4-bromo-3-chlorophenyl)-2-ethylbenzenesulfonamide
CID 107618486
4-bromo-N-(4-bromo-3-chlorophenyl)benzenesulfonamide
CID 19683886
N-(4-bromo-3-chlorophenyl)thiophene-2-sulfonamide
CID 2207523
2-bromo-N-(4-chloro-3-fluorophenyl)benzenesulfonamide
CID 47310409
2-bromo-N-(4-bromo-3-chlorophenyl)-5-(methylaminomethyl)thiophene-3-sulfonamide
CID 106090264
4-amino-3-bromo-N-(4-bromo-3-chlorophenyl)benzenesulfonamide
CID 107618470
N-(4-bromo-3-chlorophenyl)-4-methyl-3-(phenylsulfamoyl)benzamide
CID 1252514
2-(aminomethyl)-N-(4-chlorophenyl)benzenesulfonamide
CID 106060822
N-[3-chloro-4-[2-(hydroxymethyl)phenyl]phenyl]-7-methyl-2,3-dioxo-1,4-dihydroquinoxaline-6-sulfonamide
CID 167306637
N-(4-bromo-3-chlorophenyl)-5-(methylaminomethyl)thiophene-2-sulfonamide
CID 106090194

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-3-chlorophenyl)-2-(hydroxymethyl)benzenesulfonamide?
The IUPAC name of N-(4-bromo-3-chlorophenyl)-2-(hydroxymethyl)benzenesulfonamide (CID 106000455) is N-(4-bromo-3-chlorophenyl)-2-(hydroxymethyl)benzenesulfonamide.
What is the SMILES notation for N-(4-bromo-3-chlorophenyl)-2-(hydroxymethyl)benzenesulfonamide?
The canonical SMILES for N-(4-bromo-3-chlorophenyl)-2-(hydroxymethyl)benzenesulfonamide is O=S(=O)(Nc1ccc(Br)c(Cl)c1)c1ccccc1CO.
What is the InChIKey of N-(4-bromo-3-chlorophenyl)-2-(hydroxymethyl)benzenesulfonamide?
The InChIKey is QNNSUFKLJYRTLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11BrClNO3S/c14-11-6-5-10(7-12(11)15)16-20(18,19)13-4-2-1-3-9(13)8-17/h1-7,16-17H,8H2.
What are the key properties of N-(4-bromo-3-chlorophenyl)-2-(hydroxymethyl)benzenesulfonamide?
N-(4-bromo-3-chlorophenyl)-2-(hydroxymethyl)benzenesulfonamide has a molecular weight of 376.66 g/mol, XLogP of 3.40, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-3-chlorophenyl)-2-(hydroxymethyl)benzenesulfonamide is sourced from PubChem (CID 106000455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).