2-chloro-N-[(1-thiophen-3-yltriazol-4-yl)methyl]benzenesulfonamide

C13H11ClN4O2S2 — CID 122276027

IUPAC2-chloro-N-[(1-thiophen-3-yltriazol-4-yl)methyl]benzenesulfonamide
SMILESO=S(=O)(NCc1cn(-c2ccsc2)nn1)c1ccccc1Cl
InChIInChI=1S/C13H11ClN4O2S2/c14-12-3-1-2-4-13(12)22(19,20)15-7-10-8-18(17-16-10)11-5-6-21-9-11/h1-6,8-9,15H,7H2
InChIKeyUBIVAOBAQCELEM-UHFFFAOYSA-N
MW354.84 g/mol
LogP2.46
Rot. Bonds5

About 2-chloro-N-[(1-thiophen-3-yltriazol-4-yl)methyl]benzenesulfonamide

2-chloro-N-[(1-thiophen-3-yltriazol-4-yl)methyl]benzenesulfonamide (PubChem CID 122276027) has the molecular formula C13H11ClN4O2S2 and a molecular weight of 354.84 g/mol. Its IUPAC name is 2-chloro-N-[(1-thiophen-3-yltriazol-4-yl)methyl]benzenesulfonamide.

Molecular Properties

Compound Name2-chloro-N-[(1-thiophen-3-yltriazol-4-yl)methyl]benzenesulfonamide
PubChem CID122276027
Molecular FormulaC13H11ClN4O2S2
Molecular Weight354.84 g/mol
Exact Mass354.00
IUPAC Name2-chloro-N-[(1-thiophen-3-yltriazol-4-yl)methyl]benzenesulfonamide
SMILESO=S(=O)(NCc1cn(-c2ccsc2)nn1)c1ccccc1Cl
InChIInChI=1S/C13H11ClN4O2S2/c14-12-3-1-2-4-13(12)22(19,20)15-7-10-8-18(17-16-10)11-5-6-21-9-11/h1-6,8-9,15H,7H2
InChIKeyUBIVAOBAQCELEM-UHFFFAOYSA-N
XLogP2.46
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.84
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2,5-difluoro-N-[(1-thiophen-3-yltriazol-4-yl)methyl]benzenesulfonamide
CID 122276029
4-methoxy-3-methyl-N-[(1-thiophen-3-yltriazol-4-yl)methyl]benzenesulfonamide
CID 122276037
N-[(1-thiophen-3-yltriazol-4-yl)methyl]thiophene-2-carboxamide
CID 122162192
3-(3,4-dichlorophenyl)-N-[(1-thiophen-3-yltriazol-4-yl)methyl]propanamide
CID 122275740
2-ethyl-N-[(1-thiophen-3-yltriazol-4-yl)methyl]butanamide
CID 122275830
2-(1H-indol-3-yl)-N-[(1-thiophen-3-yltriazol-4-yl)methyl]acetamide
CID 122275829
1-(4-tert-butylphenyl)-3-[(1-thiophen-3-yltriazol-4-yl)methyl]urea
CID 122275968
N-[(1-thiophen-3-yltriazol-4-yl)methyl]oxolane-3-carboxamide
CID 122275874
1-(1-adamantyl)-3-[(1-thiophen-3-yltriazol-4-yl)methyl]urea
CID 122275978
4-phenyl-N-[(1-thiophen-3-yltriazol-4-yl)methyl]oxane-4-carboxamide
CID 122275716
2-naphthalen-2-yloxy-N-[(1-thiophen-3-yltriazol-4-yl)methyl]acetamide
CID 122275772
N-[2-(azepan-1-yl)-2-thiophen-3-ylethyl]-2-chlorobenzenesulfonamide
CID 16933225

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[(1-thiophen-3-yltriazol-4-yl)methyl]benzenesulfonamide?
The IUPAC name of 2-chloro-N-[(1-thiophen-3-yltriazol-4-yl)methyl]benzenesulfonamide (CID 122276027) is 2-chloro-N-[(1-thiophen-3-yltriazol-4-yl)methyl]benzenesulfonamide.
What is the SMILES notation for 2-chloro-N-[(1-thiophen-3-yltriazol-4-yl)methyl]benzenesulfonamide?
The canonical SMILES for 2-chloro-N-[(1-thiophen-3-yltriazol-4-yl)methyl]benzenesulfonamide is O=S(=O)(NCc1cn(-c2ccsc2)nn1)c1ccccc1Cl.
What is the InChIKey of 2-chloro-N-[(1-thiophen-3-yltriazol-4-yl)methyl]benzenesulfonamide?
The InChIKey is UBIVAOBAQCELEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClN4O2S2/c14-12-3-1-2-4-13(12)22(19,20)15-7-10-8-18(17-16-10)11-5-6-21-9-11/h1-6,8-9,15H,7H2.
What are the key properties of 2-chloro-N-[(1-thiophen-3-yltriazol-4-yl)methyl]benzenesulfonamide?
2-chloro-N-[(1-thiophen-3-yltriazol-4-yl)methyl]benzenesulfonamide has a molecular weight of 354.84 g/mol, XLogP of 2.46, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[(1-thiophen-3-yltriazol-4-yl)methyl]benzenesulfonamide is sourced from PubChem (CID 122276027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).