2-bromo-N-[3-chloro-4-(methanesulfonamido)phenyl]furan-3-carboxamide

C12H10BrClN2O4S — CID 106853250

IUPAC2-bromo-N-[3-chloro-4-(methanesulfonamido)phenyl]furan-3-carboxamide
SMILESCS(=O)(=O)Nc1ccc(NC(=O)c2ccoc2Br)cc1Cl
InChIInChI=1S/C12H10BrClN2O4S/c1-21(18,19)16-10-3-2-7(6-9(10)14)15-12(17)8-4-5-20-11(8)13/h2-6,16H,1H3,(H,15,17)
InChIKeyMNSZEMSMXSUKJI-UHFFFAOYSA-N
MW393.65 g/mol
LogP3.32
Rot. Bonds4

About 2-bromo-N-[3-chloro-4-(methanesulfonamido)phenyl]furan-3-carboxamide

2-bromo-N-[3-chloro-4-(methanesulfonamido)phenyl]furan-3-carboxamide (PubChem CID 106853250) has the molecular formula C12H10BrClN2O4S and a molecular weight of 393.65 g/mol. Its IUPAC name is 2-bromo-N-[3-chloro-4-(methanesulfonamido)phenyl]furan-3-carboxamide.

Molecular Properties

Compound Name2-bromo-N-[3-chloro-4-(methanesulfonamido)phenyl]furan-3-carboxamide
PubChem CID106853250
Molecular FormulaC12H10BrClN2O4S
Molecular Weight393.65 g/mol
Exact Mass391.92
IUPAC Name2-bromo-N-[3-chloro-4-(methanesulfonamido)phenyl]furan-3-carboxamide
SMILESCS(=O)(=O)Nc1ccc(NC(=O)c2ccoc2Br)cc1Cl
InChIInChI=1S/C12H10BrClN2O4S/c1-21(18,19)16-10-3-2-7(6-9(10)14)15-12(17)8-4-5-20-11(8)13/h2-6,16H,1H3,(H,15,17)
InChIKeyMNSZEMSMXSUKJI-UHFFFAOYSA-N
XLogP3.32
TPSA88.41 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.65
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(2-bromofuran-3-carbonyl)amino]-2-chlorobenzoic acid
CID 106850976
3-chloro-N-(3-chloro-4-fluorophenyl)-4-(methanesulfonamido)benzamide
CID 46778692
N-(4-amino-2-chlorophenyl)-2-bromofuran-3-carboxamide
CID 106850739
N-[3-chloro-4-(methanesulfonamido)phenyl]-3,5-dimethylfuran-2-carboxamide
CID 71862235
2-bromo-N-[4-methyl-3-(methylsulfamoyl)phenyl]furan-3-carboxamide
CID 106852863
N-[4-[[3-chloro-4-(methanesulfonamido)phenyl]carbamothioylamino]phenyl]-2-fluorobenzamide
CID 15955499
N-[3-chloro-4-(methanesulfonamido)phenyl]methanesulfonamide
CID 5120140
5-[(2-bromofuran-3-carbonyl)amino]-2-methylbenzoic acid
CID 106851029
2-bromo-N-[3-chloro-4-(methanesulfonamido)phenyl]butanamide
CID 62855661
2-amino-N-[3-chloro-4-(methanesulfonamido)phenyl]propanamide
CID 43711074
3-chloro-4-(methanesulfonamido)-N-phenylbenzamide
CID 38014443
N-(3-acetamidophenyl)-3-chloro-4-(methanesulfonamido)benzamide
CID 92683312

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-[3-chloro-4-(methanesulfonamido)phenyl]furan-3-carboxamide?
The IUPAC name of 2-bromo-N-[3-chloro-4-(methanesulfonamido)phenyl]furan-3-carboxamide (CID 106853250) is 2-bromo-N-[3-chloro-4-(methanesulfonamido)phenyl]furan-3-carboxamide.
What is the SMILES notation for 2-bromo-N-[3-chloro-4-(methanesulfonamido)phenyl]furan-3-carboxamide?
The canonical SMILES for 2-bromo-N-[3-chloro-4-(methanesulfonamido)phenyl]furan-3-carboxamide is CS(=O)(=O)Nc1ccc(NC(=O)c2ccoc2Br)cc1Cl.
What is the InChIKey of 2-bromo-N-[3-chloro-4-(methanesulfonamido)phenyl]furan-3-carboxamide?
The InChIKey is MNSZEMSMXSUKJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10BrClN2O4S/c1-21(18,19)16-10-3-2-7(6-9(10)14)15-12(17)8-4-5-20-11(8)13/h2-6,16H,1H3,(H,15,17).
What are the key properties of 2-bromo-N-[3-chloro-4-(methanesulfonamido)phenyl]furan-3-carboxamide?
2-bromo-N-[3-chloro-4-(methanesulfonamido)phenyl]furan-3-carboxamide has a molecular weight of 393.65 g/mol, XLogP of 3.32, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-[3-chloro-4-(methanesulfonamido)phenyl]furan-3-carboxamide is sourced from PubChem (CID 106853250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).