5-amino-2-chloro-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]benzenesulfonamide

C10H12ClN5O2S — CID 106281132

IUPAC5-amino-2-chloro-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]benzenesulfonamide
SMILESCC(NS(=O)(=O)c1cc(N)ccc1Cl)c1ncn[nH]1
InChIInChI=1S/C10H12ClN5O2S/c1-6(10-13-5-14-15-10)16-19(17,18)9-4-7(12)2-3-8(9)11/h2-6,16H,12H2,1H3,(H,13,14,15)
InChIKeyMHEXLHXTAIKMRV-UHFFFAOYSA-N
MW301.76 g/mol
LogP1.08
Rot. Bonds4

About 5-amino-2-chloro-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]benzenesulfonamide

5-amino-2-chloro-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]benzenesulfonamide (PubChem CID 106281132) has the molecular formula C10H12ClN5O2S and a molecular weight of 301.76 g/mol. Its IUPAC name is 5-amino-2-chloro-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]benzenesulfonamide.

Molecular Properties

Compound Name5-amino-2-chloro-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]benzenesulfonamide
PubChem CID106281132
Molecular FormulaC10H12ClN5O2S
Molecular Weight301.76 g/mol
Exact Mass301.04
IUPAC Name5-amino-2-chloro-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]benzenesulfonamide
SMILESCC(NS(=O)(=O)c1cc(N)ccc1Cl)c1ncn[nH]1
InChIInChI=1S/C10H12ClN5O2S/c1-6(10-13-5-14-15-10)16-19(17,18)9-4-7(12)2-3-8(9)11/h2-6,16H,12H2,1H3,(H,13,14,15)
InChIKeyMHEXLHXTAIKMRV-UHFFFAOYSA-N
XLogP1.08
TPSA113.76 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.76
LogP ≤ 51.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-chloro-5-(hydroxymethyl)-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]benzenesulfonamide
CID 106283886
2,4-dichloro-3-fluoro-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]benzenesulfonamide
CID 103270127
2-amino-4-methyl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]benzenesulfonamide
CID 106281114
2-amino-4-bromo-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]benzenesulfonamide
CID 106281139
5-amino-2-chloro-N-(1-phenylethyl)benzenesulfonamide
CID 43094138
4-chloro-2-methoxy-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]benzenesulfonamide
CID 103943283
3-amino-4-[1-(1H-1,2,4-triazol-5-yl)ethylsulfamoyl]benzoic acid
CID 106281112
3-chloro-4-methyl-5-[[(1R)-1-(1H-1,2,4-triazol-5-yl)ethyl]sulfamoyl]benzoic acid
CID 100688428
3-amino-1-methyl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]pyrazole-4-sulfonamide
CID 106281103
N-[1-(1H-1,2,4-triazol-5-yl)ethyl]naphthalene-1-sulfonamide
CID 103885404
5-(aminomethyl)-2,4-dimethyl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]benzenesulfonamide
CID 106283754
5-amino-2-chloro-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]benzenesulfonamide
CID 79248425

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-chloro-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]benzenesulfonamide?
The IUPAC name of 5-amino-2-chloro-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]benzenesulfonamide (CID 106281132) is 5-amino-2-chloro-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]benzenesulfonamide.
What is the SMILES notation for 5-amino-2-chloro-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]benzenesulfonamide?
The canonical SMILES for 5-amino-2-chloro-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]benzenesulfonamide is CC(NS(=O)(=O)c1cc(N)ccc1Cl)c1ncn[nH]1.
What is the InChIKey of 5-amino-2-chloro-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]benzenesulfonamide?
The InChIKey is MHEXLHXTAIKMRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClN5O2S/c1-6(10-13-5-14-15-10)16-19(17,18)9-4-7(12)2-3-8(9)11/h2-6,16H,12H2,1H3,(H,13,14,15).
What are the key properties of 5-amino-2-chloro-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]benzenesulfonamide?
5-amino-2-chloro-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]benzenesulfonamide has a molecular weight of 301.76 g/mol, XLogP of 1.08, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-chloro-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]benzenesulfonamide is sourced from PubChem (CID 106281132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).