N-[1-(4-bromophenyl)ethyl]-5-chlorothiophene-2-sulfonamide

C12H11BrClNO2S2 — CID 3835268

IUPACN-[1-(4-bromophenyl)ethyl]-5-chlorothiophene-2-sulfonamide
SMILESCC(NS(=O)(=O)c1ccc(Cl)s1)c1ccc(Br)cc1
InChIInChI=1S/C12H11BrClNO2S2/c1-8(9-2-4-10(13)5-3-9)15-19(16,17)12-7-6-11(14)18-12/h2-8,15H,1H3
InChIKeyFBMGCAZVKZXCIQ-UHFFFAOYSA-N
MW380.72 g/mol
LogP4.20
Rot. Bonds4

About N-[1-(4-bromophenyl)ethyl]-5-chlorothiophene-2-sulfonamide

N-[1-(4-bromophenyl)ethyl]-5-chlorothiophene-2-sulfonamide (PubChem CID 3835268) has the molecular formula C12H11BrClNO2S2 and a molecular weight of 380.72 g/mol. Its IUPAC name is N-[1-(4-bromophenyl)ethyl]-5-chlorothiophene-2-sulfonamide.

Molecular Properties

Compound NameN-[1-(4-bromophenyl)ethyl]-5-chlorothiophene-2-sulfonamide
PubChem CID3835268
Molecular FormulaC12H11BrClNO2S2
Molecular Weight380.72 g/mol
Exact Mass378.91
IUPAC NameN-[1-(4-bromophenyl)ethyl]-5-chlorothiophene-2-sulfonamide
SMILESCC(NS(=O)(=O)c1ccc(Cl)s1)c1ccc(Br)cc1
InChIInChI=1S/C12H11BrClNO2S2/c1-8(9-2-4-10(13)5-3-9)15-19(16,17)12-7-6-11(14)18-12/h2-8,15H,1H3
InChIKeyFBMGCAZVKZXCIQ-UHFFFAOYSA-N
XLogP4.20
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.72
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(4-tert-butylphenyl)ethyl]-5-chlorothiophene-2-sulfonamide
CID 22772327
5-bromo-N-[(1R)-1-(4-bromophenyl)ethyl]-4-chlorothiophene-2-sulfonamide
CID 107868984
5-chloro-N-[1-(3,4-difluorophenyl)ethyl]thiophene-2-sulfonamide
CID 134017266
N-[1-(4-bromophenyl)ethyl]-2-chloro-1,3-thiazole-5-sulfonamide
CID 61053705
N-[1-(4-aminophenyl)ethyl]-5-bromothiophene-2-sulfonamide
CID 43297909
5-chloro-N-[(1S)-1-(5-methylfuran-2-yl)ethyl]thiophene-2-sulfonamide
CID 29355029
N-[1-(4-bromophenyl)ethyl]-2-chloro-4-methyl-1,3-thiazole-5-sulfonamide
CID 61053706
5-bromo-4-chloro-N-[1-(4-fluorophenyl)ethyl]thiophene-2-sulfonamide
CID 80580119
4-bromo-N-[1-(4-methylsulfonylphenyl)ethyl]benzenesulfonamide
CID 133165405
N-[1-(4-fluorophenyl)ethyl]-5-methylthiophene-2-sulfonamide
CID 47109825
5-bromo-4-chloro-N-[(1S)-1-phenylethyl]thiophene-2-sulfonamide
CID 114010398
5-chloro-N-[(2S,3R)-1-hydroxy-3-(4-phenylphenyl)butan-2-yl]thiophene-2-sulfonamide
CID 66929809

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-bromophenyl)ethyl]-5-chlorothiophene-2-sulfonamide?
The IUPAC name of N-[1-(4-bromophenyl)ethyl]-5-chlorothiophene-2-sulfonamide (CID 3835268) is N-[1-(4-bromophenyl)ethyl]-5-chlorothiophene-2-sulfonamide.
What is the SMILES notation for N-[1-(4-bromophenyl)ethyl]-5-chlorothiophene-2-sulfonamide?
The canonical SMILES for N-[1-(4-bromophenyl)ethyl]-5-chlorothiophene-2-sulfonamide is CC(NS(=O)(=O)c1ccc(Cl)s1)c1ccc(Br)cc1.
What is the InChIKey of N-[1-(4-bromophenyl)ethyl]-5-chlorothiophene-2-sulfonamide?
The InChIKey is FBMGCAZVKZXCIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11BrClNO2S2/c1-8(9-2-4-10(13)5-3-9)15-19(16,17)12-7-6-11(14)18-12/h2-8,15H,1H3.
What are the key properties of N-[1-(4-bromophenyl)ethyl]-5-chlorothiophene-2-sulfonamide?
N-[1-(4-bromophenyl)ethyl]-5-chlorothiophene-2-sulfonamide has a molecular weight of 380.72 g/mol, XLogP of 4.20, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-bromophenyl)ethyl]-5-chlorothiophene-2-sulfonamide is sourced from PubChem (CID 3835268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).