2-chloro-4-(3-hydroxyphenyl)-N-[2-(triazol-1-yl)ethyl]benzenesulfonamide

C16H15ClN4O3S — CID 171385880

IUPAC2-chloro-4-(3-hydroxyphenyl)-N-[2-(triazol-1-yl)ethyl]benzenesulfonamide
SMILESO=S(=O)(NCCn1ccnn1)c1ccc(-c2cccc(O)c2)cc1Cl
InChIInChI=1S/C16H15ClN4O3S/c17-15-11-13(12-2-1-3-14(22)10-12)4-5-16(15)25(23,24)19-7-9-21-8-6-18-20-21/h1-6,8,10-11,19,22H,7,9H2
InChIKeyOQVBAESBQZCZQO-UHFFFAOYSA-N
MW378.84 g/mol
LogP2.28
Rot. Bonds6

About 2-chloro-4-(3-hydroxyphenyl)-N-[2-(triazol-1-yl)ethyl]benzenesulfonamide

2-chloro-4-(3-hydroxyphenyl)-N-[2-(triazol-1-yl)ethyl]benzenesulfonamide (PubChem CID 171385880) has the molecular formula C16H15ClN4O3S and a molecular weight of 378.84 g/mol. Its IUPAC name is 2-chloro-4-(3-hydroxyphenyl)-N-[2-(triazol-1-yl)ethyl]benzenesulfonamide.

Molecular Properties

Compound Name2-chloro-4-(3-hydroxyphenyl)-N-[2-(triazol-1-yl)ethyl]benzenesulfonamide
PubChem CID171385880
Molecular FormulaC16H15ClN4O3S
Molecular Weight378.84 g/mol
Exact Mass378.06
IUPAC Name2-chloro-4-(3-hydroxyphenyl)-N-[2-(triazol-1-yl)ethyl]benzenesulfonamide
SMILESO=S(=O)(NCCn1ccnn1)c1ccc(-c2cccc(O)c2)cc1Cl
InChIInChI=1S/C16H15ClN4O3S/c17-15-11-13(12-2-1-3-14(22)10-12)4-5-16(15)25(23,24)19-7-9-21-8-6-18-20-21/h1-6,8,10-11,19,22H,7,9H2
InChIKeyOQVBAESBQZCZQO-UHFFFAOYSA-N
XLogP2.28
TPSA97.11 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.84
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-bromo-2-chloro-N-[2-(triazol-1-yl)ethyl]benzenesulfonamide
CID 113375159
4-bromo-2-fluoro-N-[2-(triazol-1-yl)ethyl]benzenesulfonamide
CID 116528824
2-chloro-4-[2-(triazol-1-yl)ethylsulfamoyl]benzoic acid
CID 107090248
2-chloro-N-[2-(triazol-2-yl)ethyl]benzenesulfonamide
CID 121177472
4-amino-N-[2-(triazol-1-yl)ethyl]pyridine-3-sulfonamide
CID 113413216
2-(aminomethyl)-5-fluoro-N-[2-(triazol-1-yl)ethyl]benzenesulfonamide
CID 106077186
4-hydrazinyl-N-[2-(triazol-1-yl)ethyl]benzenesulfonamide
CID 113412993
N-[2-(triazol-1-yl)ethyl]-1H-pyrazole-5-sulfonamide
CID 102693334
5-(aminomethyl)-2,3-dimethyl-N-[2-(triazol-1-yl)ethyl]benzenesulfonamide
CID 106077256
3-(ethylamino)-N-[2-(triazol-1-yl)ethyl]pyridine-2-sulfonamide
CID 103307155
5-(aminomethyl)-2-methyl-N-[2-(triazol-1-yl)ethyl]thiophene-3-sulfonamide
CID 106077262
2-[(cyclopropylamino)methyl]-N-[2-(triazol-1-yl)ethyl]thiophene-3-sulfonamide
CID 106077237

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-(3-hydroxyphenyl)-N-[2-(triazol-1-yl)ethyl]benzenesulfonamide?
The IUPAC name of 2-chloro-4-(3-hydroxyphenyl)-N-[2-(triazol-1-yl)ethyl]benzenesulfonamide (CID 171385880) is 2-chloro-4-(3-hydroxyphenyl)-N-[2-(triazol-1-yl)ethyl]benzenesulfonamide.
What is the SMILES notation for 2-chloro-4-(3-hydroxyphenyl)-N-[2-(triazol-1-yl)ethyl]benzenesulfonamide?
The canonical SMILES for 2-chloro-4-(3-hydroxyphenyl)-N-[2-(triazol-1-yl)ethyl]benzenesulfonamide is O=S(=O)(NCCn1ccnn1)c1ccc(-c2cccc(O)c2)cc1Cl.
What is the InChIKey of 2-chloro-4-(3-hydroxyphenyl)-N-[2-(triazol-1-yl)ethyl]benzenesulfonamide?
The InChIKey is OQVBAESBQZCZQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClN4O3S/c17-15-11-13(12-2-1-3-14(22)10-12)4-5-16(15)25(23,24)19-7-9-21-8-6-18-20-21/h1-6,8,10-11,19,22H,7,9H2.
What are the key properties of 2-chloro-4-(3-hydroxyphenyl)-N-[2-(triazol-1-yl)ethyl]benzenesulfonamide?
2-chloro-4-(3-hydroxyphenyl)-N-[2-(triazol-1-yl)ethyl]benzenesulfonamide has a molecular weight of 378.84 g/mol, XLogP of 2.28, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-(3-hydroxyphenyl)-N-[2-(triazol-1-yl)ethyl]benzenesulfonamide is sourced from PubChem (CID 171385880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).