5-chloro-2-fluoro-N-[5-(methanesulfonamido)-1,3,4-thiadiazol-2-yl]benzamide

C10H8ClFN4O3S2 — CID 87008668

IUPAC5-chloro-2-fluoro-N-[5-(methanesulfonamido)-1,3,4-thiadiazol-2-yl]benzamide
SMILESCS(=O)(=O)Nc1nnc(NC(=O)c2cc(Cl)ccc2F)s1
InChIInChI=1S/C10H8ClFN4O3S2/c1-21(18,19)16-10-15-14-9(20-10)13-8(17)6-4-5(11)2-3-7(6)12/h2-4H,1H3,(H,15,16)(H,13,14,17)
InChIKeyCFHNQGOFFJANNE-UHFFFAOYSA-N
MW350.78 g/mol
LogP1.95
Rot. Bonds4

About 5-chloro-2-fluoro-N-[5-(methanesulfonamido)-1,3,4-thiadiazol-2-yl]benzamide

5-chloro-2-fluoro-N-[5-(methanesulfonamido)-1,3,4-thiadiazol-2-yl]benzamide (PubChem CID 87008668) has the molecular formula C10H8ClFN4O3S2 and a molecular weight of 350.78 g/mol. Its IUPAC name is 5-chloro-2-fluoro-N-[5-(methanesulfonamido)-1,3,4-thiadiazol-2-yl]benzamide.

Molecular Properties

Compound Name5-chloro-2-fluoro-N-[5-(methanesulfonamido)-1,3,4-thiadiazol-2-yl]benzamide
PubChem CID87008668
Molecular FormulaC10H8ClFN4O3S2
Molecular Weight350.78 g/mol
Exact Mass349.97
IUPAC Name5-chloro-2-fluoro-N-[5-(methanesulfonamido)-1,3,4-thiadiazol-2-yl]benzamide
SMILESCS(=O)(=O)Nc1nnc(NC(=O)c2cc(Cl)ccc2F)s1
InChIInChI=1S/C10H8ClFN4O3S2/c1-21(18,19)16-10-15-14-9(20-10)13-8(17)6-4-5(11)2-3-7(6)12/h2-4H,1H3,(H,15,16)(H,13,14,17)
InChIKeyCFHNQGOFFJANNE-UHFFFAOYSA-N
XLogP1.95
TPSA101.05 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.78
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-[(2,4-dichlorophenyl)methoxy]-N-[5-(methanesulfonamido)-1,3,4-thiadiazol-2-yl]benzamide
CID 55979286
4,5-dichloro-N-[5-(methanesulfonamido)-1,3,4-thiadiazol-2-yl]-1-methylpyrrole-2-carboxamide
CID 55924031
5-chloro-2-fluoro-N-[4-fluoro-3-(methanesulfonamido)phenyl]benzamide
CID 25487071
N-[5-(methanesulfonamido)-1,3,4-thiadiazol-2-yl]-2,4-dimethoxybenzamide
CID 55979400
5-chloro-2-(methanesulfonamido)-N-(5-methyl-1,3-thiazol-2-yl)benzamide
CID 49195493
5-amino-2-fluoro-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzamide
CID 115597803
2,4-difluoro-N-[3-[[5-(methanesulfonamido)-1,3,4-thiadiazol-2-yl]amino]-3-oxopropyl]benzamide
CID 55818493
1-(3-chloro-4-fluorophenyl)sulfonyl-N-[5-(methanesulfonamido)-1,3,4-thiadiazol-2-yl]piperidine-4-carboxamide
CID 55977883
4-chloro-2-fluoro-N-[5-(4-methylphenyl)-1,3,4-thiadiazol-2-yl]benzamide
CID 100536122
N-(5-amino-1,3,4-thiadiazol-2-yl)-2,5-difluorobenzamide
CID 79512495
2-chloro-4-(methanesulfonamido)-N-(5-propan-2-ylsulfanyl-1,3,4-thiadiazol-2-yl)benzamide
CID 100765808
N-[5-(aminomethyl)-1,3,4-thiadiazol-2-yl]-2,5-dichlorobenzamide
CID 82176238

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-fluoro-N-[5-(methanesulfonamido)-1,3,4-thiadiazol-2-yl]benzamide?
The IUPAC name of 5-chloro-2-fluoro-N-[5-(methanesulfonamido)-1,3,4-thiadiazol-2-yl]benzamide (CID 87008668) is 5-chloro-2-fluoro-N-[5-(methanesulfonamido)-1,3,4-thiadiazol-2-yl]benzamide.
What is the SMILES notation for 5-chloro-2-fluoro-N-[5-(methanesulfonamido)-1,3,4-thiadiazol-2-yl]benzamide?
The canonical SMILES for 5-chloro-2-fluoro-N-[5-(methanesulfonamido)-1,3,4-thiadiazol-2-yl]benzamide is CS(=O)(=O)Nc1nnc(NC(=O)c2cc(Cl)ccc2F)s1.
What is the InChIKey of 5-chloro-2-fluoro-N-[5-(methanesulfonamido)-1,3,4-thiadiazol-2-yl]benzamide?
The InChIKey is CFHNQGOFFJANNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8ClFN4O3S2/c1-21(18,19)16-10-15-14-9(20-10)13-8(17)6-4-5(11)2-3-7(6)12/h2-4H,1H3,(H,15,16)(H,13,14,17).
What are the key properties of 5-chloro-2-fluoro-N-[5-(methanesulfonamido)-1,3,4-thiadiazol-2-yl]benzamide?
5-chloro-2-fluoro-N-[5-(methanesulfonamido)-1,3,4-thiadiazol-2-yl]benzamide has a molecular weight of 350.78 g/mol, XLogP of 1.95, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-fluoro-N-[5-(methanesulfonamido)-1,3,4-thiadiazol-2-yl]benzamide is sourced from PubChem (CID 87008668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).