5-[1-(4-tert-butylphenyl)triazol-4-yl]thiophene-2-sulfonamide

C16H18N4O2S2 — CID 71770911

IUPAC5-[1-(4-tert-butylphenyl)triazol-4-yl]thiophene-2-sulfonamide
SMILESCC(C)(C)c1ccc(-n2cc(-c3ccc(S(N)(=O)=O)s3)nn2)cc1
InChIInChI=1S/C16H18N4O2S2/c1-16(2,3)11-4-6-12(7-5-11)20-10-13(18-19-20)14-8-9-15(23-14)24(17,21)22/h4-10H,1-3H3,(H2,17,21,22)
InChIKeyROCHYJQHRDSAMT-UHFFFAOYSA-N
MW362.48 g/mol
LogP2.94
Rot. Bonds3

About 5-[1-(4-tert-butylphenyl)triazol-4-yl]thiophene-2-sulfonamide

5-[1-(4-tert-butylphenyl)triazol-4-yl]thiophene-2-sulfonamide (PubChem CID 71770911) has the molecular formula C16H18N4O2S2 and a molecular weight of 362.48 g/mol. Its IUPAC name is 5-[1-(4-tert-butylphenyl)triazol-4-yl]thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-[1-(4-tert-butylphenyl)triazol-4-yl]thiophene-2-sulfonamide
PubChem CID71770911
Molecular FormulaC16H18N4O2S2
Molecular Weight362.48 g/mol
Exact Mass362.09
IUPAC Name5-[1-(4-tert-butylphenyl)triazol-4-yl]thiophene-2-sulfonamide
SMILESCC(C)(C)c1ccc(-n2cc(-c3ccc(S(N)(=O)=O)s3)nn2)cc1
InChIInChI=1S/C16H18N4O2S2/c1-16(2,3)11-4-6-12(7-5-11)20-10-13(18-19-20)14-8-9-15(23-14)24(17,21)22/h4-10H,1-3H3,(H2,17,21,22)
InChIKeyROCHYJQHRDSAMT-UHFFFAOYSA-N
XLogP2.94
TPSA90.87 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.48
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-(1-Naphthalen-1-Yl-1,2,3-Triazol-4-Yl)thiophene-2-Sulfonamide
CID 71770913
5-[1-(4-Methylphenyl)-1,2,3-Triazol-4-Yl]thiophene-2-Sulfonamide
CID 71770791
5-[1-(3-Cyanophenyl)-1,2,3-Triazol-4-Yl]thiophene-2-Sulfonamide
CID 71770916
N,N-dimethyl-4-(1-(4-(methylsulfonyl)phenyl)-1H-[1,2,3]triazol-5-yl)aniline
CID 44581949
5-(1-Phenyltriazol-4-yl)thiophene-2-sulfonamide
CID 71770789
5-[1-(3-Methylphenyl)triazol-4-yl]thiophene-2-sulfonamide
CID 71770790
5-[1-[4-(Trifluoromethyl)phenyl]triazol-4-yl]thiophene-2-sulfonamide
CID 71770914
5-[1-(4-Iodophenyl)triazol-4-yl]thiophene-2-sulfonamide
CID 71771032
5-[1-(2-Fluoro-4-methylsulfonylphenyl)triazol-4-yl]thiophene-2-sulfonamide
CID 71771033
5-[1-[4-Cyano-3-(trifluoromethyl)phenyl]triazol-4-yl]thiophene-2-sulfonamide
CID 71771034
4-[4-(4-Pentylphenyl)triazol-1-yl]benzenesulfonamide
CID 118711613
1-[4-(3-Methylsulfonylphenyl)phenyl]-4-phenyltriazole
CID 145960954

Frequently Asked Questions

What is the IUPAC name of 5-[1-(4-tert-butylphenyl)triazol-4-yl]thiophene-2-sulfonamide?
The IUPAC name of 5-[1-(4-tert-butylphenyl)triazol-4-yl]thiophene-2-sulfonamide (CID 71770911) is 5-[1-(4-tert-butylphenyl)triazol-4-yl]thiophene-2-sulfonamide.
What is the SMILES notation for 5-[1-(4-tert-butylphenyl)triazol-4-yl]thiophene-2-sulfonamide?
The canonical SMILES for 5-[1-(4-tert-butylphenyl)triazol-4-yl]thiophene-2-sulfonamide is CC(C)(C)c1ccc(-n2cc(-c3ccc(S(N)(=O)=O)s3)nn2)cc1.
What is the InChIKey of 5-[1-(4-tert-butylphenyl)triazol-4-yl]thiophene-2-sulfonamide?
The InChIKey is ROCHYJQHRDSAMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O2S2/c1-16(2,3)11-4-6-12(7-5-11)20-10-13(18-19-20)14-8-9-15(23-14)24(17,21)22/h4-10H,1-3H3,(H2,17,21,22).
What are the key properties of 5-[1-(4-tert-butylphenyl)triazol-4-yl]thiophene-2-sulfonamide?
5-[1-(4-tert-butylphenyl)triazol-4-yl]thiophene-2-sulfonamide has a molecular weight of 362.48 g/mol, XLogP of 2.94, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(4-tert-butylphenyl)triazol-4-yl]thiophene-2-sulfonamide is sourced from PubChem (CID 71770911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).