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

C12H10Br2ClNO2S2 — CID 107868984

IUPAC5-bromo-N-[(1R)-1-(4-bromophenyl)ethyl]-4-chlorothiophene-2-sulfonamide
SMILESC[C@@H](NS(=O)(=O)c1cc(Cl)c(Br)s1)c1ccc(Br)cc1
InChIInChI=1S/C12H10Br2ClNO2S2/c1-7(8-2-4-9(13)5-3-8)16-20(17,18)11-6-10(15)12(14)19-11/h2-7,16H,1H3/t7-/m1/s1
InChIKeyOKUYZYLSNNAPQB-SSDOTTSWSA-N
MW459.61 g/mol
LogP4.97
Rot. Bonds4

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

5-bromo-N-[(1R)-1-(4-bromophenyl)ethyl]-4-chlorothiophene-2-sulfonamide (PubChem CID 107868984) has the molecular formula C12H10Br2ClNO2S2 and a molecular weight of 459.61 g/mol. Its IUPAC name is 5-bromo-N-[(1R)-1-(4-bromophenyl)ethyl]-4-chlorothiophene-2-sulfonamide.

Molecular Properties

Compound Name5-bromo-N-[(1R)-1-(4-bromophenyl)ethyl]-4-chlorothiophene-2-sulfonamide
PubChem CID107868984
Molecular FormulaC12H10Br2ClNO2S2
Molecular Weight459.61 g/mol
Exact Mass456.82
IUPAC Name5-bromo-N-[(1R)-1-(4-bromophenyl)ethyl]-4-chlorothiophene-2-sulfonamide
SMILESC[C@@H](NS(=O)(=O)c1cc(Cl)c(Br)s1)c1ccc(Br)cc1
InChIInChI=1S/C12H10Br2ClNO2S2/c1-7(8-2-4-9(13)5-3-8)16-20(17,18)11-6-10(15)12(14)19-11/h2-7,16H,1H3/t7-/m1/s1
InChIKeyOKUYZYLSNNAPQB-SSDOTTSWSA-N
XLogP4.97
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.61
LogP ≤ 54.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-4-chloro-N-[1-(4-fluorophenyl)ethyl]thiophene-2-sulfonamide
CID 80580119
5-bromo-4-chloro-N-[(1S)-1-phenylethyl]thiophene-2-sulfonamide
CID 114010398
N-[1-(4-bromophenyl)ethyl]-5-chlorothiophene-2-sulfonamide
CID 3835268
5-bromo-4-chloro-N-[1-(2-methylphenyl)ethyl]thiophene-2-sulfonamide
CID 80578485
5-bromo-N-[1-(3,4-dichlorophenyl)ethyl]-4-methylthiophene-2-sulfonamide
CID 79998802
N-[1-(4-bromophenyl)ethyl]-2-chloro-1,3-thiazole-5-sulfonamide
CID 61053705
5-bromo-4-chloro-N-(1-hydroxypropan-2-yl)thiophene-2-sulfonamide
CID 80577968
N-(1-aminopropan-2-yl)-5-bromo-4-chlorothiophene-2-sulfonamide
CID 80577776
5-bromo-4-chloro-N-(2-methylpentan-3-yl)thiophene-2-sulfonamide
CID 80580103
5-bromo-4-chloro-N-(1-cyano-2-methylpropyl)thiophene-2-sulfonamide
CID 80577530
(2R)-2-[(5-bromo-4-chlorothiophen-2-yl)sulfonylamino]-3-methylbutanoic acid
CID 80577603
2-[(5-bromo-4-chlorothiophen-2-yl)sulfonylamino]-N-tert-butylpropanamide
CID 115685414

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[(1R)-1-(4-bromophenyl)ethyl]-4-chlorothiophene-2-sulfonamide?
The IUPAC name of 5-bromo-N-[(1R)-1-(4-bromophenyl)ethyl]-4-chlorothiophene-2-sulfonamide (CID 107868984) is 5-bromo-N-[(1R)-1-(4-bromophenyl)ethyl]-4-chlorothiophene-2-sulfonamide.
What is the SMILES notation for 5-bromo-N-[(1R)-1-(4-bromophenyl)ethyl]-4-chlorothiophene-2-sulfonamide?
The canonical SMILES for 5-bromo-N-[(1R)-1-(4-bromophenyl)ethyl]-4-chlorothiophene-2-sulfonamide is C[C@@H](NS(=O)(=O)c1cc(Cl)c(Br)s1)c1ccc(Br)cc1.
What is the InChIKey of 5-bromo-N-[(1R)-1-(4-bromophenyl)ethyl]-4-chlorothiophene-2-sulfonamide?
The InChIKey is OKUYZYLSNNAPQB-SSDOTTSWSA-N. The full InChI is InChI=1S/C12H10Br2ClNO2S2/c1-7(8-2-4-9(13)5-3-8)16-20(17,18)11-6-10(15)12(14)19-11/h2-7,16H,1H3/t7-/m1/s1.
What are the key properties of 5-bromo-N-[(1R)-1-(4-bromophenyl)ethyl]-4-chlorothiophene-2-sulfonamide?
5-bromo-N-[(1R)-1-(4-bromophenyl)ethyl]-4-chlorothiophene-2-sulfonamide has a molecular weight of 459.61 g/mol, XLogP of 4.97, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[(1R)-1-(4-bromophenyl)ethyl]-4-chlorothiophene-2-sulfonamide is sourced from PubChem (CID 107868984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).