5-bromo-N-[(4-bromothiophen-2-yl)methyl]-4-methylthiophene-2-sulfonamide

C10H9Br2NO2S3 — CID 79987387

IUPAC5-bromo-N-[(4-bromothiophen-2-yl)methyl]-4-methylthiophene-2-sulfonamide
SMILESCc1cc(S(=O)(=O)NCc2cc(Br)cs2)sc1Br
InChIInChI=1S/C10H9Br2NO2S3/c1-6-2-9(17-10(6)12)18(14,15)13-4-8-3-7(11)5-16-8/h2-3,5,13H,4H2,1H3
InChIKeyKQDKWLHQDNPKMF-UHFFFAOYSA-N
MW431.20 g/mol
LogP4.12
Rot. Bonds4

About 5-bromo-N-[(4-bromothiophen-2-yl)methyl]-4-methylthiophene-2-sulfonamide

5-bromo-N-[(4-bromothiophen-2-yl)methyl]-4-methylthiophene-2-sulfonamide (PubChem CID 79987387) has the molecular formula C10H9Br2NO2S3 and a molecular weight of 431.20 g/mol. Its IUPAC name is 5-bromo-N-[(4-bromothiophen-2-yl)methyl]-4-methylthiophene-2-sulfonamide.

Molecular Properties

Compound Name5-bromo-N-[(4-bromothiophen-2-yl)methyl]-4-methylthiophene-2-sulfonamide
PubChem CID79987387
Molecular FormulaC10H9Br2NO2S3
Molecular Weight431.20 g/mol
Exact Mass428.82
IUPAC Name5-bromo-N-[(4-bromothiophen-2-yl)methyl]-4-methylthiophene-2-sulfonamide
SMILESCc1cc(S(=O)(=O)NCc2cc(Br)cs2)sc1Br
InChIInChI=1S/C10H9Br2NO2S3/c1-6-2-9(17-10(6)12)18(14,15)13-4-8-3-7(11)5-16-8/h2-3,5,13H,4H2,1H3
InChIKeyKQDKWLHQDNPKMF-UHFFFAOYSA-N
XLogP4.12
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.20
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-bromo-4-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]thiophene-2-sulfonamide
CID 79939163
5-bromo-N-[[4-(hydroxymethyl)phenyl]methyl]-4-methylthiophene-2-sulfonamide
CID 107232063
5-bromo-4-methyl-N-[(3-methyl-2-pyridinyl)methyl]thiophene-2-sulfonamide
CID 79939263
5-bromo-N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-4-methylthiophene-2-sulfonamide
CID 113252435
5-bromo-4-methyl-N-[2-(methylamino)ethyl]thiophene-2-sulfonamide;hydrochloride
CID 119972955
5-bromo-4-methyl-N-prop-2-enylthiophene-2-sulfonamide
CID 79925847
5-bromo-4-methyl-N-(2-thiophen-2-ylethyl)thiophene-2-sulfonamide
CID 79931997
4-[(4-bromothiophen-2-yl)methylsulfamoyl]-3-methylbenzenecarbothioamide
CID 106998289
5-bromo-N-(2-bromo-4,4-dimethylpentyl)-4-methylthiophene-2-sulfonamide
CID 107158081
5-bromo-4-methyl-N-(3-methyl-2-oxobutyl)thiophene-2-sulfonamide
CID 79987385
5-bromo-N-[2-(dimethylamino)propyl]-4-methylthiophene-2-sulfonamide
CID 79925416
3-[(5-bromo-4-methylthiophen-2-yl)sulfonylamino]-2-hydroxypropanoic acid
CID 79987643

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[(4-bromothiophen-2-yl)methyl]-4-methylthiophene-2-sulfonamide?
The IUPAC name of 5-bromo-N-[(4-bromothiophen-2-yl)methyl]-4-methylthiophene-2-sulfonamide (CID 79987387) is 5-bromo-N-[(4-bromothiophen-2-yl)methyl]-4-methylthiophene-2-sulfonamide.
What is the SMILES notation for 5-bromo-N-[(4-bromothiophen-2-yl)methyl]-4-methylthiophene-2-sulfonamide?
The canonical SMILES for 5-bromo-N-[(4-bromothiophen-2-yl)methyl]-4-methylthiophene-2-sulfonamide is Cc1cc(S(=O)(=O)NCc2cc(Br)cs2)sc1Br.
What is the InChIKey of 5-bromo-N-[(4-bromothiophen-2-yl)methyl]-4-methylthiophene-2-sulfonamide?
The InChIKey is KQDKWLHQDNPKMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9Br2NO2S3/c1-6-2-9(17-10(6)12)18(14,15)13-4-8-3-7(11)5-16-8/h2-3,5,13H,4H2,1H3.
What are the key properties of 5-bromo-N-[(4-bromothiophen-2-yl)methyl]-4-methylthiophene-2-sulfonamide?
5-bromo-N-[(4-bromothiophen-2-yl)methyl]-4-methylthiophene-2-sulfonamide has a molecular weight of 431.20 g/mol, XLogP of 4.12, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[(4-bromothiophen-2-yl)methyl]-4-methylthiophene-2-sulfonamide is sourced from PubChem (CID 79987387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).