N-(5-amino-1-phenyl-1,2,4-triazol-3-yl)-4-chlorobenzenesulfonamide

C14H12ClN5O2S — CID 930714

IUPACN-(5-amino-1-phenyl-1,2,4-triazol-3-yl)-4-chlorobenzenesulfonamide
SMILESNc1nc(NS(=O)(=O)c2ccc(Cl)cc2)nn1-c1ccccc1
InChIInChI=1S/C14H12ClN5O2S/c15-10-6-8-12(9-7-10)23(21,22)19-14-17-13(16)20(18-14)11-4-2-1-3-5-11/h1-9H,(H3,16,17,18,19)
InChIKeyMJWUUCYDTPJOIJ-UHFFFAOYSA-N
MW349.80 g/mol
LogP2.30
Rot. Bonds4

About N-(5-amino-1-phenyl-1,2,4-triazol-3-yl)-4-chlorobenzenesulfonamide

N-(5-amino-1-phenyl-1,2,4-triazol-3-yl)-4-chlorobenzenesulfonamide (PubChem CID 930714) has the molecular formula C14H12ClN5O2S and a molecular weight of 349.80 g/mol. Its IUPAC name is N-(5-amino-1-phenyl-1,2,4-triazol-3-yl)-4-chlorobenzenesulfonamide.

Molecular Properties

Compound NameN-(5-amino-1-phenyl-1,2,4-triazol-3-yl)-4-chlorobenzenesulfonamide
PubChem CID930714
Molecular FormulaC14H12ClN5O2S
Molecular Weight349.80 g/mol
Exact Mass349.04
IUPAC NameN-(5-amino-1-phenyl-1,2,4-triazol-3-yl)-4-chlorobenzenesulfonamide
SMILESNc1nc(NS(=O)(=O)c2ccc(Cl)cc2)nn1-c1ccccc1
InChIInChI=1S/C14H12ClN5O2S/c15-10-6-8-12(9-7-10)23(21,22)19-14-17-13(16)20(18-14)11-4-2-1-3-5-11/h1-9H,(H3,16,17,18,19)
InChIKeyMJWUUCYDTPJOIJ-UHFFFAOYSA-N
XLogP2.30
TPSA102.90 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.80
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(5-amino-1-phenyl-1H-1,2,4-triazol-3-yl)benzenesulfonamide
CID 802147
N-(5-amino-1-phenyl-1,2,4-triazol-3-yl)-4-methylbenzenesulfonamide
CID 802528
4-chloro-N-[4-(1H-tetrazol-1-yl)phenyl]benzenesulfonamide
CID 7510387
1-[5-Amino-1-(4-sulfamoylphenyl)-1,2,4-triazol-3-yl]-3-(4-chlorophenyl)urea
CID 155527018
1-[5-Amino-1-(4-sulfamoylphenyl)-1,2,4-triazol-3-yl]-3-phenylurea
CID 155557925
4-chloro-N-(3-imino-2-phenyl-1H-1,2,4-triazol-5-yl)-5-methyl-2-sulfanyl-benzenesulfonamide
CID 384317
N-(3-chlorophenyl)-3-(tetrazol-1-yl)benzenesulfonamide
CID 854954
3-chloro-N-[3-(1H-tetrazol-1-yl)phenyl]benzenesulfonamide
CID 7693123
4-chloro-N-[3-(1H-tetrazol-1-yl)phenyl]benzenesulfonamide
CID 7708767
N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-4-fluorobenzenesulfonamide
CID 9184317
2-chloro-N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]benzenesulfonamide
CID 9533833
N3-(4-chlorophenyl)-1-(2,3,4-trifluorophenyl)sulfonyl-1,2,4-triazole-3,5-diamine
CID 168968650

Frequently Asked Questions

What is the IUPAC name of N-(5-amino-1-phenyl-1,2,4-triazol-3-yl)-4-chlorobenzenesulfonamide?
The IUPAC name of N-(5-amino-1-phenyl-1,2,4-triazol-3-yl)-4-chlorobenzenesulfonamide (CID 930714) is N-(5-amino-1-phenyl-1,2,4-triazol-3-yl)-4-chlorobenzenesulfonamide.
What is the SMILES notation for N-(5-amino-1-phenyl-1,2,4-triazol-3-yl)-4-chlorobenzenesulfonamide?
The canonical SMILES for N-(5-amino-1-phenyl-1,2,4-triazol-3-yl)-4-chlorobenzenesulfonamide is Nc1nc(NS(=O)(=O)c2ccc(Cl)cc2)nn1-c1ccccc1.
What is the InChIKey of N-(5-amino-1-phenyl-1,2,4-triazol-3-yl)-4-chlorobenzenesulfonamide?
The InChIKey is MJWUUCYDTPJOIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClN5O2S/c15-10-6-8-12(9-7-10)23(21,22)19-14-17-13(16)20(18-14)11-4-2-1-3-5-11/h1-9H,(H3,16,17,18,19).
What are the key properties of N-(5-amino-1-phenyl-1,2,4-triazol-3-yl)-4-chlorobenzenesulfonamide?
N-(5-amino-1-phenyl-1,2,4-triazol-3-yl)-4-chlorobenzenesulfonamide has a molecular weight of 349.80 g/mol, XLogP of 2.30, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-amino-1-phenyl-1,2,4-triazol-3-yl)-4-chlorobenzenesulfonamide is sourced from PubChem (CID 930714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).