4-(1H-1,2,4-triazol-5-ylmethylsulfamoyl)benzamide

C10H11N5O3S — CID 54883543

IUPAC4-(1H-1,2,4-triazol-5-ylmethylsulfamoyl)benzamide
SMILESNC(=O)c1ccc(S(=O)(=O)NCc2ncn[nH]2)cc1
InChIInChI=1S/C10H11N5O3S/c11-10(16)7-1-3-8(4-2-7)19(17,18)14-5-9-12-6-13-15-9/h1-4,6,14H,5H2,(H2,11,16)(H,12,13,15)
InChIKeyOYCMPSSCKAEBOQ-UHFFFAOYSA-N
MW281.30 g/mol
LogP-0.62
Rot. Bonds5

About 4-(1H-1,2,4-triazol-5-ylmethylsulfamoyl)benzamide

4-(1H-1,2,4-triazol-5-ylmethylsulfamoyl)benzamide (PubChem CID 54883543) has the molecular formula C10H11N5O3S and a molecular weight of 281.30 g/mol. Its IUPAC name is 4-(1H-1,2,4-triazol-5-ylmethylsulfamoyl)benzamide.

Molecular Properties

Compound Name4-(1H-1,2,4-triazol-5-ylmethylsulfamoyl)benzamide
PubChem CID54883543
Molecular FormulaC10H11N5O3S
Molecular Weight281.30 g/mol
Exact Mass281.06
IUPAC Name4-(1H-1,2,4-triazol-5-ylmethylsulfamoyl)benzamide
SMILESNC(=O)c1ccc(S(=O)(=O)NCc2ncn[nH]2)cc1
InChIInChI=1S/C10H11N5O3S/c11-10(16)7-1-3-8(4-2-7)19(17,18)14-5-9-12-6-13-15-9/h1-4,6,14H,5H2,(H2,11,16)(H,12,13,15)
InChIKeyOYCMPSSCKAEBOQ-UHFFFAOYSA-N
XLogP-0.62
TPSA130.83 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.30
LogP ≤ 5-0.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 4-(1H-1,2,4-triazol-5-ylmethylsulfamoyl)benzoate
CID 60983083
N-[4-(1H-1,2,4-triazol-5-ylmethylsulfamoyl)phenyl]acetamide
CID 60983716
4-[3-(1H-1,2,4-triazol-5-yl)propylsulfamoyl]benzenecarbothioamide
CID 64529596
4-(1H-1,2,4-triazol-5-ylmethylsulfamoylmethyl)benzenecarbothioamide
CID 64530384
4-(propylaminomethyl)-N-(1H-1,2,4-triazol-5-ylmethyl)benzenesulfonamide
CID 64531603
3-propanoyl-N-(1H-1,2,4-triazol-5-ylmethyl)benzenesulfonamide
CID 61253931
3-amino-4-methoxy-N-(1H-1,2,4-triazol-5-ylmethyl)benzenesulfonamide
CID 61111745
2-hydroxy-N-(1H-1,2,4-triazol-5-ylmethyl)benzenesulfonamide
CID 81245663
4-amino-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]benzenesulfonamide
CID 64518969
4-chloro-3-(ethylaminomethyl)-N-(1H-1,2,4-triazol-5-ylmethyl)benzenesulfonamide
CID 106013274
3-methoxy-4-(1H-1,2,4-triazol-5-ylmethylsulfamoyl)benzoic acid
CID 102694756
5-(1H-1,2,4-triazol-5-ylmethylsulfamoyl)-1H-pyrazole-4-carboxylic acid
CID 54885257

Frequently Asked Questions

What is the IUPAC name of 4-(1H-1,2,4-triazol-5-ylmethylsulfamoyl)benzamide?
The IUPAC name of 4-(1H-1,2,4-triazol-5-ylmethylsulfamoyl)benzamide (CID 54883543) is 4-(1H-1,2,4-triazol-5-ylmethylsulfamoyl)benzamide.
What is the SMILES notation for 4-(1H-1,2,4-triazol-5-ylmethylsulfamoyl)benzamide?
The canonical SMILES for 4-(1H-1,2,4-triazol-5-ylmethylsulfamoyl)benzamide is NC(=O)c1ccc(S(=O)(=O)NCc2ncn[nH]2)cc1.
What is the InChIKey of 4-(1H-1,2,4-triazol-5-ylmethylsulfamoyl)benzamide?
The InChIKey is OYCMPSSCKAEBOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N5O3S/c11-10(16)7-1-3-8(4-2-7)19(17,18)14-5-9-12-6-13-15-9/h1-4,6,14H,5H2,(H2,11,16)(H,12,13,15).
What are the key properties of 4-(1H-1,2,4-triazol-5-ylmethylsulfamoyl)benzamide?
4-(1H-1,2,4-triazol-5-ylmethylsulfamoyl)benzamide has a molecular weight of 281.30 g/mol, XLogP of -0.62, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1H-1,2,4-triazol-5-ylmethylsulfamoyl)benzamide is sourced from PubChem (CID 54883543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).