N-[3-chloro-4-(methanesulfonamido)phenyl]-3,5-dimethylfuran-2-carboxamide

C14H15ClN2O4S — CID 71862235

IUPACN-[3-chloro-4-(methanesulfonamido)phenyl]-3,5-dimethylfuran-2-carboxamide
SMILESCc1cc(C)c(C(=O)Nc2ccc(NS(C)(=O)=O)c(Cl)c2)o1
InChIInChI=1S/C14H15ClN2O4S/c1-8-6-9(2)21-13(8)14(18)16-10-4-5-12(11(15)7-10)17-22(3,19)20/h4-7,17H,1-3H3,(H,16,18)
InChIKeyTZDFRCIGEBGXGI-UHFFFAOYSA-N
MW342.80 g/mol
LogP3.17
Rot. Bonds4

About N-[3-chloro-4-(methanesulfonamido)phenyl]-3,5-dimethylfuran-2-carboxamide

N-[3-chloro-4-(methanesulfonamido)phenyl]-3,5-dimethylfuran-2-carboxamide (PubChem CID 71862235) has the molecular formula C14H15ClN2O4S and a molecular weight of 342.80 g/mol. Its IUPAC name is N-[3-chloro-4-(methanesulfonamido)phenyl]-3,5-dimethylfuran-2-carboxamide.

Molecular Properties

Compound NameN-[3-chloro-4-(methanesulfonamido)phenyl]-3,5-dimethylfuran-2-carboxamide
PubChem CID71862235
Molecular FormulaC14H15ClN2O4S
Molecular Weight342.80 g/mol
Exact Mass342.04
IUPAC NameN-[3-chloro-4-(methanesulfonamido)phenyl]-3,5-dimethylfuran-2-carboxamide
SMILESCc1cc(C)c(C(=O)Nc2ccc(NS(C)(=O)=O)c(Cl)c2)o1
InChIInChI=1S/C14H15ClN2O4S/c1-8-6-9(2)21-13(8)14(18)16-10-4-5-12(11(15)7-10)17-22(3,19)20/h4-7,17H,1-3H3,(H,16,18)
InChIKeyTZDFRCIGEBGXGI-UHFFFAOYSA-N
XLogP3.17
TPSA88.41 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.80
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-bromo-N-[3-chloro-4-(methanesulfonamido)phenyl]furan-3-carboxamide
CID 106853250
N-[3-chloro-4-(methanesulfonamido)phenyl]methanesulfonamide
CID 5120140
3-chloro-N-(3-chloro-4-fluorophenyl)-4-(methanesulfonamido)benzamide
CID 46778692
3-amino-N-[3-chloro-4-(methanesulfonamido)phenyl]-1H-1,2,4-triazole-5-carboxamide
CID 62808092
2-amino-N-[3-chloro-4-(methanesulfonamido)phenyl]propanamide
CID 43711074
N-[5-[(3,5-dimethylfuran-2-carbonyl)amino]-2-methylphenyl]pyridine-4-carboxamide
CID 122146668
2-bromo-N-[3-chloro-4-(methanesulfonamido)phenyl]butanamide
CID 62855661
N-[3-chloro-4-(methanesulfonamido)phenyl]-2-(prop-2-ynylamino)acetamide
CID 79287467
3-chloro-4-(methanesulfonamido)-N-phenylbenzamide
CID 38014443
(2R)-2-amino-N-[3-chloro-4-(methanesulfonamido)phenyl]-3,3-dimethylbutanamide
CID 103928886
N-(3-acetamidophenyl)-3-chloro-4-(methanesulfonamido)benzamide
CID 92683312
N-[4-[[3-chloro-4-(methanesulfonamido)phenyl]carbamothioylamino]phenyl]-2-fluorobenzamide
CID 15955499

Frequently Asked Questions

What is the IUPAC name of N-[3-chloro-4-(methanesulfonamido)phenyl]-3,5-dimethylfuran-2-carboxamide?
The IUPAC name of N-[3-chloro-4-(methanesulfonamido)phenyl]-3,5-dimethylfuran-2-carboxamide (CID 71862235) is N-[3-chloro-4-(methanesulfonamido)phenyl]-3,5-dimethylfuran-2-carboxamide.
What is the SMILES notation for N-[3-chloro-4-(methanesulfonamido)phenyl]-3,5-dimethylfuran-2-carboxamide?
The canonical SMILES for N-[3-chloro-4-(methanesulfonamido)phenyl]-3,5-dimethylfuran-2-carboxamide is Cc1cc(C)c(C(=O)Nc2ccc(NS(C)(=O)=O)c(Cl)c2)o1.
What is the InChIKey of N-[3-chloro-4-(methanesulfonamido)phenyl]-3,5-dimethylfuran-2-carboxamide?
The InChIKey is TZDFRCIGEBGXGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN2O4S/c1-8-6-9(2)21-13(8)14(18)16-10-4-5-12(11(15)7-10)17-22(3,19)20/h4-7,17H,1-3H3,(H,16,18).
What are the key properties of N-[3-chloro-4-(methanesulfonamido)phenyl]-3,5-dimethylfuran-2-carboxamide?
N-[3-chloro-4-(methanesulfonamido)phenyl]-3,5-dimethylfuran-2-carboxamide has a molecular weight of 342.80 g/mol, XLogP of 3.17, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-chloro-4-(methanesulfonamido)phenyl]-3,5-dimethylfuran-2-carboxamide is sourced from PubChem (CID 71862235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).