N-(4-bromo-2-methylphenyl)-2-(hydroxymethyl)thiophene-3-sulfonamide

C12H12BrNO3S2 — CID 107425265

IUPACN-(4-bromo-2-methylphenyl)-2-(hydroxymethyl)thiophene-3-sulfonamide
SMILESCc1cc(Br)ccc1NS(=O)(=O)c1ccsc1CO
InChIInChI=1S/C12H12BrNO3S2/c1-8-6-9(13)2-3-10(8)14-19(16,17)12-4-5-18-11(12)7-15/h2-6,14-15H,7H2,1H3
InChIKeyQVKDUKPZCMVKAG-UHFFFAOYSA-N
MW362.27 g/mol
LogP3.11
Rot. Bonds4

About N-(4-bromo-2-methylphenyl)-2-(hydroxymethyl)thiophene-3-sulfonamide

N-(4-bromo-2-methylphenyl)-2-(hydroxymethyl)thiophene-3-sulfonamide (PubChem CID 107425265) has the molecular formula C12H12BrNO3S2 and a molecular weight of 362.27 g/mol. Its IUPAC name is N-(4-bromo-2-methylphenyl)-2-(hydroxymethyl)thiophene-3-sulfonamide.

Molecular Properties

Compound NameN-(4-bromo-2-methylphenyl)-2-(hydroxymethyl)thiophene-3-sulfonamide
PubChem CID107425265
Molecular FormulaC12H12BrNO3S2
Molecular Weight362.27 g/mol
Exact Mass360.94
IUPAC NameN-(4-bromo-2-methylphenyl)-2-(hydroxymethyl)thiophene-3-sulfonamide
SMILESCc1cc(Br)ccc1NS(=O)(=O)c1ccsc1CO
InChIInChI=1S/C12H12BrNO3S2/c1-8-6-9(13)2-3-10(8)14-19(16,17)12-4-5-18-11(12)7-15/h2-6,14-15H,7H2,1H3
InChIKeyQVKDUKPZCMVKAG-UHFFFAOYSA-N
XLogP3.11
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.27
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-bromo-2-methylphenyl)-2-(methylaminomethyl)thiophene-3-sulfonamide
CID 106057534
2-bromo-N-(4-bromo-2-methylphenyl)-5-(hydroxymethyl)furan-3-sulfonamide
CID 107416371
N-(2,5-dibromophenyl)-2-(ethylaminomethyl)thiophene-3-sulfonamide
CID 106007249
N-(4-methoxy-2-methylphenyl)-2-(methylaminomethyl)thiophene-3-sulfonamide
CID 106056030
2-(aminomethyl)-N-(4-methoxy-2-methylphenyl)thiophene-3-sulfonamide
CID 106056025
N-(5-bromo-3-methyl-2-pyridinyl)-2-(methylaminomethyl)thiophene-3-sulfonamide
CID 106076794
N-(2-bromo-5-chloro-4-methylphenyl)-2-(methylaminomethyl)thiophene-3-sulfonamide
CID 106078949
4-bromo-N-(4-bromo-2-methylphenyl)-2-chlorobenzenesulfonamide
CID 28828912
4-bromo-N-[(3-bromothiophen-2-yl)methyl]-2-methylaniline
CID 63488263
N-(4-bromo-2-methylphenyl)-2-fluorobenzenesulfonamide
CID 7938529
5-amino-N-(4-bromo-2-methylphenyl)-1H-pyrazole-4-sulfonamide
CID 54922704
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-(hydroxymethyl)thiophene-3-sulfonamide
CID 106000129

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2-methylphenyl)-2-(hydroxymethyl)thiophene-3-sulfonamide?
The IUPAC name of N-(4-bromo-2-methylphenyl)-2-(hydroxymethyl)thiophene-3-sulfonamide (CID 107425265) is N-(4-bromo-2-methylphenyl)-2-(hydroxymethyl)thiophene-3-sulfonamide.
What is the SMILES notation for N-(4-bromo-2-methylphenyl)-2-(hydroxymethyl)thiophene-3-sulfonamide?
The canonical SMILES for N-(4-bromo-2-methylphenyl)-2-(hydroxymethyl)thiophene-3-sulfonamide is Cc1cc(Br)ccc1NS(=O)(=O)c1ccsc1CO.
What is the InChIKey of N-(4-bromo-2-methylphenyl)-2-(hydroxymethyl)thiophene-3-sulfonamide?
The InChIKey is QVKDUKPZCMVKAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12BrNO3S2/c1-8-6-9(13)2-3-10(8)14-19(16,17)12-4-5-18-11(12)7-15/h2-6,14-15H,7H2,1H3.
What are the key properties of N-(4-bromo-2-methylphenyl)-2-(hydroxymethyl)thiophene-3-sulfonamide?
N-(4-bromo-2-methylphenyl)-2-(hydroxymethyl)thiophene-3-sulfonamide has a molecular weight of 362.27 g/mol, XLogP of 3.11, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-2-methylphenyl)-2-(hydroxymethyl)thiophene-3-sulfonamide is sourced from PubChem (CID 107425265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).