5-bromo-N-[(4-methylphenyl)methyl]thiophene-2-sulfonamide

C12H12BrNO2S2 — CID 894103

IUPAC5-bromo-N-[(4-methylphenyl)methyl]thiophene-2-sulfonamide
SMILESCc1ccc(CNS(=O)(=O)c2ccc(Br)s2)cc1
InChIInChI=1S/C12H12BrNO2S2/c1-9-2-4-10(5-3-9)8-14-18(15,16)12-7-6-11(13)17-12/h2-7,14H,8H2,1H3
InChIKeyPIGIHNUWKYWATR-UHFFFAOYSA-N
MW346.27 g/mol
LogP3.30
Rot. Bonds4

About 5-bromo-N-[(4-methylphenyl)methyl]thiophene-2-sulfonamide

5-bromo-N-[(4-methylphenyl)methyl]thiophene-2-sulfonamide (PubChem CID 894103) has the molecular formula C12H12BrNO2S2 and a molecular weight of 346.27 g/mol. Its IUPAC name is 5-bromo-N-[(4-methylphenyl)methyl]thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-bromo-N-[(4-methylphenyl)methyl]thiophene-2-sulfonamide
PubChem CID894103
Molecular FormulaC12H12BrNO2S2
Molecular Weight346.27 g/mol
Exact Mass344.95
IUPAC Name5-bromo-N-[(4-methylphenyl)methyl]thiophene-2-sulfonamide
SMILESCc1ccc(CNS(=O)(=O)c2ccc(Br)s2)cc1
InChIInChI=1S/C12H12BrNO2S2/c1-9-2-4-10(5-3-9)8-14-18(15,16)12-7-6-11(13)17-12/h2-7,14H,8H2,1H3
InChIKeyPIGIHNUWKYWATR-UHFFFAOYSA-N
XLogP3.30
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.27
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N2-[(4-methylphenyl)methyl]thiophene-2,5-disulfonamide
CID 444607
4-bromo-N-(2-thienylmethyl)benzenesulfonamide
CID 887265
N-benzylthiophene-2-sulfonamide
CID 765826
5-bromo-N-(2-phenylethyl)-2-thiophenesulfonamide
CID 848219
5-methyl-N-(4-methylbenzyl)thiophene-2-sulfonamide
CID 2148031
N-[1-(4-methylphenyl)propyl]thiophene-2-sulfonamide
CID 4768760
4-bromo-N-[(2,5-dimethylthiophen-3-yl)methyl]benzenesulfonamide
CID 141518728
N-(2-bromobenzyl)-2-thiophenesulfonamide
CID 1246435
5-bromo-N-(1-phenylethyl)thiophene-2-sulfonamide
CID 2942461
N-[4-(aminosulfonyl)benzyl]-2,5-dimethylthiophene-3-sulfonamide
CID 3238507
N-benzyl-5-bromothiophene-2-sulfonamide
CID 848221
N-benzyl-5-methyl-2-thiophenesulfonamide
CID 2241007

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[(4-methylphenyl)methyl]thiophene-2-sulfonamide?
The IUPAC name of 5-bromo-N-[(4-methylphenyl)methyl]thiophene-2-sulfonamide (CID 894103) is 5-bromo-N-[(4-methylphenyl)methyl]thiophene-2-sulfonamide.
What is the SMILES notation for 5-bromo-N-[(4-methylphenyl)methyl]thiophene-2-sulfonamide?
The canonical SMILES for 5-bromo-N-[(4-methylphenyl)methyl]thiophene-2-sulfonamide is Cc1ccc(CNS(=O)(=O)c2ccc(Br)s2)cc1.
What is the InChIKey of 5-bromo-N-[(4-methylphenyl)methyl]thiophene-2-sulfonamide?
The InChIKey is PIGIHNUWKYWATR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12BrNO2S2/c1-9-2-4-10(5-3-9)8-14-18(15,16)12-7-6-11(13)17-12/h2-7,14H,8H2,1H3.
What are the key properties of 5-bromo-N-[(4-methylphenyl)methyl]thiophene-2-sulfonamide?
5-bromo-N-[(4-methylphenyl)methyl]thiophene-2-sulfonamide has a molecular weight of 346.27 g/mol, XLogP of 3.30, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[(4-methylphenyl)methyl]thiophene-2-sulfonamide is sourced from PubChem (CID 894103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).