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

C10H11ClN6O3S — CID 62808092

IUPAC3-amino-N-[3-chloro-4-(methanesulfonamido)phenyl]-1H-1,2,4-triazole-5-carboxamide
SMILESCS(=O)(=O)Nc1ccc(NC(=O)c2nc(N)n[nH]2)cc1Cl
InChIInChI=1S/C10H11ClN6O3S/c1-21(19,20)17-7-3-2-5(4-6(7)11)13-9(18)8-14-10(12)16-15-8/h2-4,17H,1H3,(H,13,18)(H3,12,14,15,16)
InChIKeyBUPDNDRLJBWGQJ-UHFFFAOYSA-N
MW330.76 g/mol
LogP0.66
Rot. Bonds4

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

3-amino-N-[3-chloro-4-(methanesulfonamido)phenyl]-1H-1,2,4-triazole-5-carboxamide (PubChem CID 62808092) has the molecular formula C10H11ClN6O3S and a molecular weight of 330.76 g/mol. Its IUPAC name is 3-amino-N-[3-chloro-4-(methanesulfonamido)phenyl]-1H-1,2,4-triazole-5-carboxamide.

Molecular Properties

Compound Name3-amino-N-[3-chloro-4-(methanesulfonamido)phenyl]-1H-1,2,4-triazole-5-carboxamide
PubChem CID62808092
Molecular FormulaC10H11ClN6O3S
Molecular Weight330.76 g/mol
Exact Mass330.03
IUPAC Name3-amino-N-[3-chloro-4-(methanesulfonamido)phenyl]-1H-1,2,4-triazole-5-carboxamide
SMILESCS(=O)(=O)Nc1ccc(NC(=O)c2nc(N)n[nH]2)cc1Cl
InChIInChI=1S/C10H11ClN6O3S/c1-21(19,20)17-7-3-2-5(4-6(7)11)13-9(18)8-14-10(12)16-15-8/h2-4,17H,1H3,(H,13,18)(H3,12,14,15,16)
InChIKeyBUPDNDRLJBWGQJ-UHFFFAOYSA-N
XLogP0.66
TPSA142.86 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.76
LogP ≤ 50.66
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Related Compounds

3-amino-N-[4-(methanesulfonamido)-3-methylphenyl]-1H-1,2,4-triazole-5-carboxamide
CID 62807917
3-amino-N-(3-chloro-4-cyanophenyl)-1H-1,2,4-triazole-5-carboxamide
CID 55115331
3-amino-N-(3,5-dichloro-4-hydroxyphenyl)-1H-1,2,4-triazole-5-carboxamide
CID 107680298
3-amino-N-[4-chloro-3-(trifluoromethyl)phenyl]-1H-1,2,4-triazole-5-carboxamide
CID 62806476
3-amino-N-[3-chloro-4-(difluoromethoxy)phenyl]-1H-1,2,4-triazole-5-carboxamide
CID 62794200
N-[3-chloro-4-(methanesulfonamido)phenyl]-3,5-dimethylfuran-2-carboxamide
CID 71862235
2-amino-N-[3-chloro-4-(methanesulfonamido)phenyl]propanamide
CID 43711074
N-[3-chloro-4-(methanesulfonamido)phenyl]methanesulfonamide
CID 5120140
N-(3-acetylphenyl)-3-amino-1H-1,2,4-triazole-5-carboxamide
CID 62793864
3-amino-N-(2-methyl-1,3-dioxoisoindol-5-yl)-1H-1,2,4-triazole-5-carboxamide
CID 62808582
3-chloro-N-(3-chloro-4-fluorophenyl)-4-(methanesulfonamido)benzamide
CID 46778692
3-amino-N-[4-(2-methylpropanoylamino)phenyl]-1H-1,2,4-triazole-5-carboxamide
CID 62806146

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[3-chloro-4-(methanesulfonamido)phenyl]-1H-1,2,4-triazole-5-carboxamide?
The IUPAC name of 3-amino-N-[3-chloro-4-(methanesulfonamido)phenyl]-1H-1,2,4-triazole-5-carboxamide (CID 62808092) is 3-amino-N-[3-chloro-4-(methanesulfonamido)phenyl]-1H-1,2,4-triazole-5-carboxamide.
What is the SMILES notation for 3-amino-N-[3-chloro-4-(methanesulfonamido)phenyl]-1H-1,2,4-triazole-5-carboxamide?
The canonical SMILES for 3-amino-N-[3-chloro-4-(methanesulfonamido)phenyl]-1H-1,2,4-triazole-5-carboxamide is CS(=O)(=O)Nc1ccc(NC(=O)c2nc(N)n[nH]2)cc1Cl.
What is the InChIKey of 3-amino-N-[3-chloro-4-(methanesulfonamido)phenyl]-1H-1,2,4-triazole-5-carboxamide?
The InChIKey is BUPDNDRLJBWGQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClN6O3S/c1-21(19,20)17-7-3-2-5(4-6(7)11)13-9(18)8-14-10(12)16-15-8/h2-4,17H,1H3,(H,13,18)(H3,12,14,15,16).
What are the key properties of 3-amino-N-[3-chloro-4-(methanesulfonamido)phenyl]-1H-1,2,4-triazole-5-carboxamide?
3-amino-N-[3-chloro-4-(methanesulfonamido)phenyl]-1H-1,2,4-triazole-5-carboxamide has a molecular weight of 330.76 g/mol, XLogP of 0.66, 4 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[3-chloro-4-(methanesulfonamido)phenyl]-1H-1,2,4-triazole-5-carboxamide is sourced from PubChem (CID 62808092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).