5-chloro-N-[2-chloro-5-(methanesulfonamido)phenyl]-1,3,4-thiadiazole-2-carboxamide

C10H8Cl2N4O3S2 — CID 80618301

IUPAC5-chloro-N-[2-chloro-5-(methanesulfonamido)phenyl]-1,3,4-thiadiazole-2-carboxamide
SMILESCS(=O)(=O)Nc1ccc(Cl)c(NC(=O)c2nnc(Cl)s2)c1
InChIInChI=1S/C10H8Cl2N4O3S2/c1-21(18,19)16-5-2-3-6(11)7(4-5)13-8(17)9-14-15-10(12)20-9/h2-4,16H,1H3,(H,13,17)
InChIKeyXRBMCGNCGHZEPY-UHFFFAOYSA-N
MW367.24 g/mol
LogP2.47
Rot. Bonds4

About 5-chloro-N-[2-chloro-5-(methanesulfonamido)phenyl]-1,3,4-thiadiazole-2-carboxamide

5-chloro-N-[2-chloro-5-(methanesulfonamido)phenyl]-1,3,4-thiadiazole-2-carboxamide (PubChem CID 80618301) has the molecular formula C10H8Cl2N4O3S2 and a molecular weight of 367.24 g/mol. Its IUPAC name is 5-chloro-N-[2-chloro-5-(methanesulfonamido)phenyl]-1,3,4-thiadiazole-2-carboxamide.

Molecular Properties

Compound Name5-chloro-N-[2-chloro-5-(methanesulfonamido)phenyl]-1,3,4-thiadiazole-2-carboxamide
PubChem CID80618301
Molecular FormulaC10H8Cl2N4O3S2
Molecular Weight367.24 g/mol
Exact Mass365.94
IUPAC Name5-chloro-N-[2-chloro-5-(methanesulfonamido)phenyl]-1,3,4-thiadiazole-2-carboxamide
SMILESCS(=O)(=O)Nc1ccc(Cl)c(NC(=O)c2nnc(Cl)s2)c1
InChIInChI=1S/C10H8Cl2N4O3S2/c1-21(18,19)16-5-2-3-6(11)7(4-5)13-8(17)9-14-15-10(12)20-9/h2-4,16H,1H3,(H,13,17)
InChIKeyXRBMCGNCGHZEPY-UHFFFAOYSA-N
XLogP2.47
TPSA101.05 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.24
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5-bromo-N-[2-chloro-5-(methanesulfonamido)phenyl]thiophene-3-carboxamide
CID 60956126
5-chloro-N-[2-chloro-5-(dimethylcarbamoyl)phenyl]-1,3,4-thiadiazole-2-carboxamide
CID 80618132
N-(3-carbamoyl-4-chlorophenyl)-5-chloro-1,3,4-thiadiazole-2-carboxamide
CID 80626101
(2R)-2-amino-N-[2-chloro-5-(methanesulfonamido)phenyl]propanamide
CID 54995930
5-chloro-N-(3-chloro-4-hydroxyphenyl)-1,3,4-thiadiazole-2-carboxamide
CID 107679572
(E)-4-[2-chloro-5-(methanesulfonamido)anilino]-4-oxobut-2-enoic acid
CID 60942059
2-[[2-chloro-5-(methanesulfonamido)phenyl]carbamoyl]cyclopropane-1-carboxylic acid
CID 60942174
N-(4-bromophenyl)-5-chloro-1,3,4-thiadiazole-2-carboxamide
CID 80625889
5-chloro-N-(4-chloro-2-fluorophenyl)-1,3,4-thiadiazole-2-carboxamide
CID 80625838
2-chloro-N-(4-chlorophenyl)-5-(methanesulfonamido)benzamide
CID 92685896
N-(2-bromo-5-methylphenyl)-5-chloro-1,3,4-thiadiazole-2-carboxamide
CID 82757101
N-(4-bromo-2-methylphenyl)-5-chloro-1,3,4-thiadiazole-2-carboxamide
CID 80625575

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[2-chloro-5-(methanesulfonamido)phenyl]-1,3,4-thiadiazole-2-carboxamide?
The IUPAC name of 5-chloro-N-[2-chloro-5-(methanesulfonamido)phenyl]-1,3,4-thiadiazole-2-carboxamide (CID 80618301) is 5-chloro-N-[2-chloro-5-(methanesulfonamido)phenyl]-1,3,4-thiadiazole-2-carboxamide.
What is the SMILES notation for 5-chloro-N-[2-chloro-5-(methanesulfonamido)phenyl]-1,3,4-thiadiazole-2-carboxamide?
The canonical SMILES for 5-chloro-N-[2-chloro-5-(methanesulfonamido)phenyl]-1,3,4-thiadiazole-2-carboxamide is CS(=O)(=O)Nc1ccc(Cl)c(NC(=O)c2nnc(Cl)s2)c1.
What is the InChIKey of 5-chloro-N-[2-chloro-5-(methanesulfonamido)phenyl]-1,3,4-thiadiazole-2-carboxamide?
The InChIKey is XRBMCGNCGHZEPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8Cl2N4O3S2/c1-21(18,19)16-5-2-3-6(11)7(4-5)13-8(17)9-14-15-10(12)20-9/h2-4,16H,1H3,(H,13,17).
What are the key properties of 5-chloro-N-[2-chloro-5-(methanesulfonamido)phenyl]-1,3,4-thiadiazole-2-carboxamide?
5-chloro-N-[2-chloro-5-(methanesulfonamido)phenyl]-1,3,4-thiadiazole-2-carboxamide has a molecular weight of 367.24 g/mol, XLogP of 2.47, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[2-chloro-5-(methanesulfonamido)phenyl]-1,3,4-thiadiazole-2-carboxamide is sourced from PubChem (CID 80618301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).