5-bromo-N-[1-(4-chlorophenyl)-2-methylpropyl]thiophene-2-sulfonamide

C14H15BrClNO2S2 — CID 60709157

IUPAC5-bromo-N-[1-(4-chlorophenyl)-2-methylpropyl]thiophene-2-sulfonamide
SMILESCC(C)C(NS(=O)(=O)c1ccc(Br)s1)c1ccc(Cl)cc1
InChIInChI=1S/C14H15BrClNO2S2/c1-9(2)14(10-3-5-11(16)6-4-10)17-21(18,19)13-8-7-12(15)20-13/h3-9,14,17H,1-2H3
InChIKeyWGRZJLXADHPKCF-UHFFFAOYSA-N
MW408.77 g/mol
LogP4.84
Rot. Bonds5

About 5-bromo-N-[1-(4-chlorophenyl)-2-methylpropyl]thiophene-2-sulfonamide

5-bromo-N-[1-(4-chlorophenyl)-2-methylpropyl]thiophene-2-sulfonamide (PubChem CID 60709157) has the molecular formula C14H15BrClNO2S2 and a molecular weight of 408.77 g/mol. Its IUPAC name is 5-bromo-N-[1-(4-chlorophenyl)-2-methylpropyl]thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-bromo-N-[1-(4-chlorophenyl)-2-methylpropyl]thiophene-2-sulfonamide
PubChem CID60709157
Molecular FormulaC14H15BrClNO2S2
Molecular Weight408.77 g/mol
Exact Mass406.94
IUPAC Name5-bromo-N-[1-(4-chlorophenyl)-2-methylpropyl]thiophene-2-sulfonamide
SMILESCC(C)C(NS(=O)(=O)c1ccc(Br)s1)c1ccc(Cl)cc1
InChIInChI=1S/C14H15BrClNO2S2/c1-9(2)14(10-3-5-11(16)6-4-10)17-21(18,19)13-8-7-12(15)20-13/h3-9,14,17H,1-2H3
InChIKeyWGRZJLXADHPKCF-UHFFFAOYSA-N
XLogP4.84
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.77
LogP ≤ 54.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(4-aminophenyl)ethyl]-5-bromothiophene-2-sulfonamide
CID 43297909
5-bromo-N-[(2R)-butan-2-yl]thiophene-2-sulfonamide
CID 848230
5-bromo-N-(4-chlorobutan-2-yl)thiophene-2-sulfonamide
CID 83179426
5-bromo-N-(1-hydroxy-3-methylbutan-2-yl)thiophene-2-sulfonamide
CID 22500840
5-bromo-N-(1-cyclopropylethyl)thiophene-2-sulfonamide
CID 55029070
5-bromo-N-(3-ethylpentan-2-yl)thiophene-2-sulfonamide
CID 63836483
5-bromo-N-(1-thiophen-3-ylethyl)thiophene-2-sulfonamide
CID 62844793
5-bromo-N-(1-chlorobutan-2-yl)thiophene-2-sulfonamide
CID 65033663
5-bromo-N-[(R)-(4-methylphenyl)-phenylmethyl]thiophene-2-sulfonamide
CID 38005000
5-bromo-N-pent-4-yn-2-ylthiophene-2-sulfonamide
CID 115662596
N-[1-(4-bromophenyl)ethyl]-5-chlorothiophene-2-sulfonamide
CID 3835268
(2R)-2-[(5-bromothiophen-2-yl)sulfonylamino]-3,3-dimethylbutanoic acid
CID 113353088

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[1-(4-chlorophenyl)-2-methylpropyl]thiophene-2-sulfonamide?
The IUPAC name of 5-bromo-N-[1-(4-chlorophenyl)-2-methylpropyl]thiophene-2-sulfonamide (CID 60709157) is 5-bromo-N-[1-(4-chlorophenyl)-2-methylpropyl]thiophene-2-sulfonamide.
What is the SMILES notation for 5-bromo-N-[1-(4-chlorophenyl)-2-methylpropyl]thiophene-2-sulfonamide?
The canonical SMILES for 5-bromo-N-[1-(4-chlorophenyl)-2-methylpropyl]thiophene-2-sulfonamide is CC(C)C(NS(=O)(=O)c1ccc(Br)s1)c1ccc(Cl)cc1.
What is the InChIKey of 5-bromo-N-[1-(4-chlorophenyl)-2-methylpropyl]thiophene-2-sulfonamide?
The InChIKey is WGRZJLXADHPKCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrClNO2S2/c1-9(2)14(10-3-5-11(16)6-4-10)17-21(18,19)13-8-7-12(15)20-13/h3-9,14,17H,1-2H3.
What are the key properties of 5-bromo-N-[1-(4-chlorophenyl)-2-methylpropyl]thiophene-2-sulfonamide?
5-bromo-N-[1-(4-chlorophenyl)-2-methylpropyl]thiophene-2-sulfonamide has a molecular weight of 408.77 g/mol, XLogP of 4.84, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[1-(4-chlorophenyl)-2-methylpropyl]thiophene-2-sulfonamide is sourced from PubChem (CID 60709157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).