5-chloro-N-[1-(4-sulfamoylphenyl)ethyl]-1,3,4-thiadiazole-2-carboxamide

C11H11ClN4O3S2 — CID 80618162

IUPAC5-chloro-N-[1-(4-sulfamoylphenyl)ethyl]-1,3,4-thiadiazole-2-carboxamide
SMILESCC(NC(=O)c1nnc(Cl)s1)c1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C11H11ClN4O3S2/c1-6(14-9(17)10-15-16-11(12)20-10)7-2-4-8(5-3-7)21(13,18)19/h2-6H,1H3,(H,14,17)(H2,13,18,19)
InChIKeyNVEYYBKDNNCSBO-UHFFFAOYSA-N
MW346.82 g/mol
LogP1.33
Rot. Bonds4

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

5-chloro-N-[1-(4-sulfamoylphenyl)ethyl]-1,3,4-thiadiazole-2-carboxamide (PubChem CID 80618162) has the molecular formula C11H11ClN4O3S2 and a molecular weight of 346.82 g/mol. Its IUPAC name is 5-chloro-N-[1-(4-sulfamoylphenyl)ethyl]-1,3,4-thiadiazole-2-carboxamide.

Molecular Properties

Compound Name5-chloro-N-[1-(4-sulfamoylphenyl)ethyl]-1,3,4-thiadiazole-2-carboxamide
PubChem CID80618162
Molecular FormulaC11H11ClN4O3S2
Molecular Weight346.82 g/mol
Exact Mass346.00
IUPAC Name5-chloro-N-[1-(4-sulfamoylphenyl)ethyl]-1,3,4-thiadiazole-2-carboxamide
SMILESCC(NC(=O)c1nnc(Cl)s1)c1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C11H11ClN4O3S2/c1-6(14-9(17)10-15-16-11(12)20-10)7-2-4-8(5-3-7)21(13,18)19/h2-6H,1H3,(H,14,17)(H2,13,18,19)
InChIKeyNVEYYBKDNNCSBO-UHFFFAOYSA-N
XLogP1.33
TPSA115.04 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.82
LogP ≤ 51.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[1-[4-(carbamoylamino)phenyl]ethyl]-5-chloro-1,3,4-thiadiazole-2-carboxamide
CID 80617996
5-chloro-N-[1-(4-methylsulfanylphenyl)ethyl]-1,3,4-thiadiazole-2-carboxamide
CID 80625192
5-methyl-N-[(1S)-1-(4-sulfamoylphenyl)ethyl]thiophene-2-carboxamide
CID 2594407
5-chloro-2-fluoro-N-[(1S)-1-(4-sulfamoylphenyl)ethyl]benzamide
CID 27759607
5-bromo-N-[(1R)-1-(4-sulfamoylphenyl)ethyl]furan-2-carboxamide
CID 8003959
4-chloro-1-methyl-N-[(1S)-1-(4-sulfamoylphenyl)ethyl]pyrrole-2-carboxamide
CID 31136747
5-chloro-N-[1-(2,6-difluorophenyl)ethyl]-1,3,4-thiadiazole-2-carboxamide
CID 80625249
2-bromo-N-[1-(4-sulfamoylphenyl)ethyl]propanamide
CID 107903643
N-[(1S)-1-(4-chlorophenyl)ethyl]-2-methyl-5-sulfamoylbenzamide
CID 26012630
5-chloro-N-[1-(3-methoxyphenyl)ethyl]-1,3,4-thiadiazole-2-carboxamide
CID 80625167
4-methyl-N-[1-(4-sulfamoylphenyl)ethyl]-1,3-oxazole-5-carboxamide
CID 79489950
1-propan-2-yl-3-[(1S)-1-(4-sulfamoylphenyl)ethyl]urea
CID 25362862

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[1-(4-sulfamoylphenyl)ethyl]-1,3,4-thiadiazole-2-carboxamide?
The IUPAC name of 5-chloro-N-[1-(4-sulfamoylphenyl)ethyl]-1,3,4-thiadiazole-2-carboxamide (CID 80618162) is 5-chloro-N-[1-(4-sulfamoylphenyl)ethyl]-1,3,4-thiadiazole-2-carboxamide.
What is the SMILES notation for 5-chloro-N-[1-(4-sulfamoylphenyl)ethyl]-1,3,4-thiadiazole-2-carboxamide?
The canonical SMILES for 5-chloro-N-[1-(4-sulfamoylphenyl)ethyl]-1,3,4-thiadiazole-2-carboxamide is CC(NC(=O)c1nnc(Cl)s1)c1ccc(S(N)(=O)=O)cc1.
What is the InChIKey of 5-chloro-N-[1-(4-sulfamoylphenyl)ethyl]-1,3,4-thiadiazole-2-carboxamide?
The InChIKey is NVEYYBKDNNCSBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClN4O3S2/c1-6(14-9(17)10-15-16-11(12)20-10)7-2-4-8(5-3-7)21(13,18)19/h2-6H,1H3,(H,14,17)(H2,13,18,19).
What are the key properties of 5-chloro-N-[1-(4-sulfamoylphenyl)ethyl]-1,3,4-thiadiazole-2-carboxamide?
5-chloro-N-[1-(4-sulfamoylphenyl)ethyl]-1,3,4-thiadiazole-2-carboxamide has a molecular weight of 346.82 g/mol, XLogP of 1.33, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[1-(4-sulfamoylphenyl)ethyl]-1,3,4-thiadiazole-2-carboxamide is sourced from PubChem (CID 80618162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).