5-bromo-N-[cyclopropyl(phenyl)methyl]-4-methylthiophene-2-sulfonamide

C15H16BrNO2S2 — CID 79998796

IUPAC5-bromo-N-[cyclopropyl(phenyl)methyl]-4-methylthiophene-2-sulfonamide
SMILESCc1cc(S(=O)(=O)NC(c2ccccc2)C2CC2)sc1Br
InChIInChI=1S/C15H16BrNO2S2/c1-10-9-13(20-15(10)16)21(18,19)17-14(12-7-8-12)11-5-3-2-4-6-11/h2-6,9,12,14,17H,7-8H2,1H3
InChIKeyPNNCMUFLOLXPGX-UHFFFAOYSA-N
MW386.34 g/mol
LogP4.25
Rot. Bonds5

About 5-bromo-N-[cyclopropyl(phenyl)methyl]-4-methylthiophene-2-sulfonamide

5-bromo-N-[cyclopropyl(phenyl)methyl]-4-methylthiophene-2-sulfonamide (PubChem CID 79998796) has the molecular formula C15H16BrNO2S2 and a molecular weight of 386.34 g/mol. Its IUPAC name is 5-bromo-N-[cyclopropyl(phenyl)methyl]-4-methylthiophene-2-sulfonamide.

Molecular Properties

Compound Name5-bromo-N-[cyclopropyl(phenyl)methyl]-4-methylthiophene-2-sulfonamide
PubChem CID79998796
Molecular FormulaC15H16BrNO2S2
Molecular Weight386.34 g/mol
Exact Mass384.98
IUPAC Name5-bromo-N-[cyclopropyl(phenyl)methyl]-4-methylthiophene-2-sulfonamide
SMILESCc1cc(S(=O)(=O)NC(c2ccccc2)C2CC2)sc1Br
InChIInChI=1S/C15H16BrNO2S2/c1-10-9-13(20-15(10)16)21(18,19)17-14(12-7-8-12)11-5-3-2-4-6-11/h2-6,9,12,14,17H,7-8H2,1H3
InChIKeyPNNCMUFLOLXPGX-UHFFFAOYSA-N
XLogP4.25
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.34
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-N-(dicyclopropylmethyl)-4-methylthiophene-2-sulfonamide
CID 79934766
5-bromo-N-(2-bromo-1-phenylethyl)-4-methylthiophene-2-sulfonamide
CID 114296879
3-bromo-N-[cyclopropyl(phenyl)methyl]thiophene-2-sulfonamide
CID 61074037
N-[(S)-cyclopropyl(phenyl)methyl]methanesulfonamide
CID 94197122
N-[(3-bromophenyl)-cyclopropylmethyl]-2-methylbenzenesulfonamide
CID 160760777
N-(3-amino-3-phenylpropyl)-5-bromo-4-methylthiophene-2-sulfonamide
CID 80505327
5-bromo-N-cyclopropyl-4-methylthiophene-2-sulfonamide
CID 79925933
3-bromo-N-[cyclopropyl(phenyl)methyl]-4-methoxybenzenesulfonamide
CID 24679031
5-bromo-4-methyl-N-(thiolan-3-yl)thiophene-2-sulfonamide
CID 103739670
(2S)-2-[(5-bromo-4-methylthiophen-2-yl)sulfonylamino]-3-hydroxypropanoic acid
CID 79987764
5-bromo-N-[1-(2-methoxyphenyl)ethyl]-4-methylthiophene-2-sulfonamide
CID 79918576
5-bromo-4-methyl-N-(1-pyridin-2-ylethyl)thiophene-2-sulfonamide
CID 79932663

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[cyclopropyl(phenyl)methyl]-4-methylthiophene-2-sulfonamide?
The IUPAC name of 5-bromo-N-[cyclopropyl(phenyl)methyl]-4-methylthiophene-2-sulfonamide (CID 79998796) is 5-bromo-N-[cyclopropyl(phenyl)methyl]-4-methylthiophene-2-sulfonamide.
What is the SMILES notation for 5-bromo-N-[cyclopropyl(phenyl)methyl]-4-methylthiophene-2-sulfonamide?
The canonical SMILES for 5-bromo-N-[cyclopropyl(phenyl)methyl]-4-methylthiophene-2-sulfonamide is Cc1cc(S(=O)(=O)NC(c2ccccc2)C2CC2)sc1Br.
What is the InChIKey of 5-bromo-N-[cyclopropyl(phenyl)methyl]-4-methylthiophene-2-sulfonamide?
The InChIKey is PNNCMUFLOLXPGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16BrNO2S2/c1-10-9-13(20-15(10)16)21(18,19)17-14(12-7-8-12)11-5-3-2-4-6-11/h2-6,9,12,14,17H,7-8H2,1H3.
What are the key properties of 5-bromo-N-[cyclopropyl(phenyl)methyl]-4-methylthiophene-2-sulfonamide?
5-bromo-N-[cyclopropyl(phenyl)methyl]-4-methylthiophene-2-sulfonamide has a molecular weight of 386.34 g/mol, XLogP of 4.25, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[cyclopropyl(phenyl)methyl]-4-methylthiophene-2-sulfonamide is sourced from PubChem (CID 79998796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).