5-bromo-N-[2-chloro-5-(methanesulfonamido)phenyl]thiophene-3-carboxamide

C12H10BrClN2O3S2 — CID 60956126

IUPAC5-bromo-N-[2-chloro-5-(methanesulfonamido)phenyl]thiophene-3-carboxamide
SMILESCS(=O)(=O)Nc1ccc(Cl)c(NC(=O)c2csc(Br)c2)c1
InChIInChI=1S/C12H10BrClN2O3S2/c1-21(18,19)16-8-2-3-9(14)10(5-8)15-12(17)7-4-11(13)20-6-7/h2-6,16H,1H3,(H,15,17)
InChIKeyHUYTVZNGGNCRSN-UHFFFAOYSA-N
MW409.71 g/mol
LogP3.79
Rot. Bonds4

About 5-bromo-N-[2-chloro-5-(methanesulfonamido)phenyl]thiophene-3-carboxamide

5-bromo-N-[2-chloro-5-(methanesulfonamido)phenyl]thiophene-3-carboxamide (PubChem CID 60956126) has the molecular formula C12H10BrClN2O3S2 and a molecular weight of 409.71 g/mol. Its IUPAC name is 5-bromo-N-[2-chloro-5-(methanesulfonamido)phenyl]thiophene-3-carboxamide.

Molecular Properties

Compound Name5-bromo-N-[2-chloro-5-(methanesulfonamido)phenyl]thiophene-3-carboxamide
PubChem CID60956126
Molecular FormulaC12H10BrClN2O3S2
Molecular Weight409.71 g/mol
Exact Mass407.90
IUPAC Name5-bromo-N-[2-chloro-5-(methanesulfonamido)phenyl]thiophene-3-carboxamide
SMILESCS(=O)(=O)Nc1ccc(Cl)c(NC(=O)c2csc(Br)c2)c1
InChIInChI=1S/C12H10BrClN2O3S2/c1-21(18,19)16-8-2-3-9(14)10(5-8)15-12(17)7-4-11(13)20-6-7/h2-6,16H,1H3,(H,15,17)
InChIKeyHUYTVZNGGNCRSN-UHFFFAOYSA-N
XLogP3.79
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.71
LogP ≤ 53.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-chloro-N-[2-chloro-5-(methanesulfonamido)phenyl]-1,3,4-thiadiazole-2-carboxamide
CID 80618301
5-bromo-N-(4-chlorophenyl)thiophene-3-carboxamide
CID 43424533
5-bromo-N-(2-chloro-4-methylphenyl)thiophene-3-carboxamide
CID 43424548
(2R)-2-amino-N-[2-chloro-5-(methanesulfonamido)phenyl]propanamide
CID 54995930
(E)-4-[2-chloro-5-(methanesulfonamido)anilino]-4-oxobut-2-enoic acid
CID 60942059
N-[3-[(4-bromothiophen-2-yl)methylamino]-4-chlorophenyl]methanesulfonamide
CID 43708393
N-(5-bromo-2-chlorophenyl)-5-iodothiophene-3-carboxamide
CID 78948478
5-bromo-N-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)thiophene-3-carboxamide
CID 39821287
2-(aminomethyl)-N-[2-chloro-5-(methanesulfonamido)phenyl]butanamide
CID 65225006
1-(aminomethyl)-N-[2-chloro-5-(methanesulfonamido)phenyl]cyclopropane-1-carboxamide
CID 115452464
N-(2-amino-5-chlorophenyl)-5-bromothiophene-3-carboxamide
CID 107959269
N-(4-acetamidophenyl)-4-chloro-3-(methanesulfonamido)benzamide
CID 49013931

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[2-chloro-5-(methanesulfonamido)phenyl]thiophene-3-carboxamide?
The IUPAC name of 5-bromo-N-[2-chloro-5-(methanesulfonamido)phenyl]thiophene-3-carboxamide (CID 60956126) is 5-bromo-N-[2-chloro-5-(methanesulfonamido)phenyl]thiophene-3-carboxamide.
What is the SMILES notation for 5-bromo-N-[2-chloro-5-(methanesulfonamido)phenyl]thiophene-3-carboxamide?
The canonical SMILES for 5-bromo-N-[2-chloro-5-(methanesulfonamido)phenyl]thiophene-3-carboxamide is CS(=O)(=O)Nc1ccc(Cl)c(NC(=O)c2csc(Br)c2)c1.
What is the InChIKey of 5-bromo-N-[2-chloro-5-(methanesulfonamido)phenyl]thiophene-3-carboxamide?
The InChIKey is HUYTVZNGGNCRSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10BrClN2O3S2/c1-21(18,19)16-8-2-3-9(14)10(5-8)15-12(17)7-4-11(13)20-6-7/h2-6,16H,1H3,(H,15,17).
What are the key properties of 5-bromo-N-[2-chloro-5-(methanesulfonamido)phenyl]thiophene-3-carboxamide?
5-bromo-N-[2-chloro-5-(methanesulfonamido)phenyl]thiophene-3-carboxamide has a molecular weight of 409.71 g/mol, XLogP of 3.79, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[2-chloro-5-(methanesulfonamido)phenyl]thiophene-3-carboxamide is sourced from PubChem (CID 60956126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).