6-chloro-N-(2-phenyl-1,5-dihydrotriazol-5-yl)-1H-indole-3-sulfonamide

C16H14ClN5O2S — CID 176710900

IUPAC6-chloro-N-(2-phenyl-1,5-dihydrotriazol-5-yl)-1H-indole-3-sulfonamide
SMILESO=S(=O)(NC1C=NN(c2ccccc2)N1)c1c[nH]c2cc(Cl)ccc12
InChIInChI=1S/C16H14ClN5O2S/c17-11-6-7-13-14(8-11)18-9-15(13)25(23,24)21-16-10-19-22(20-16)12-4-2-1-3-5-12/h1-10,16,18,20-21H
InChIKeyITRCOQCPZRUWHP-UHFFFAOYSA-N
MW375.84 g/mol
LogP2.44
Rot. Bonds4

About 6-chloro-N-(2-phenyl-1,5-dihydrotriazol-5-yl)-1H-indole-3-sulfonamide

6-chloro-N-(2-phenyl-1,5-dihydrotriazol-5-yl)-1H-indole-3-sulfonamide (PubChem CID 176710900) has the molecular formula C16H14ClN5O2S and a molecular weight of 375.84 g/mol. Its IUPAC name is 6-chloro-N-(2-phenyl-1,5-dihydrotriazol-5-yl)-1H-indole-3-sulfonamide.

Molecular Properties

Compound Name6-chloro-N-(2-phenyl-1,5-dihydrotriazol-5-yl)-1H-indole-3-sulfonamide
PubChem CID176710900
Molecular FormulaC16H14ClN5O2S
Molecular Weight375.84 g/mol
Exact Mass375.06
IUPAC Name6-chloro-N-(2-phenyl-1,5-dihydrotriazol-5-yl)-1H-indole-3-sulfonamide
SMILESO=S(=O)(NC1C=NN(c2ccccc2)N1)c1c[nH]c2cc(Cl)ccc12
InChIInChI=1S/C16H14ClN5O2S/c17-11-6-7-13-14(8-11)18-9-15(13)25(23,24)21-16-10-19-22(20-16)12-4-2-1-3-5-12/h1-10,16,18,20-21H
InChIKeyITRCOQCPZRUWHP-UHFFFAOYSA-N
XLogP2.44
TPSA89.59 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.84
LogP ≤ 52.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-(2-phenyl-1,5-dihydrotriazol-5-yl)-1H-indole-3-sulfonamide?
The IUPAC name of 6-chloro-N-(2-phenyl-1,5-dihydrotriazol-5-yl)-1H-indole-3-sulfonamide (CID 176710900) is 6-chloro-N-(2-phenyl-1,5-dihydrotriazol-5-yl)-1H-indole-3-sulfonamide.
What is the SMILES notation for 6-chloro-N-(2-phenyl-1,5-dihydrotriazol-5-yl)-1H-indole-3-sulfonamide?
The canonical SMILES for 6-chloro-N-(2-phenyl-1,5-dihydrotriazol-5-yl)-1H-indole-3-sulfonamide is O=S(=O)(NC1C=NN(c2ccccc2)N1)c1c[nH]c2cc(Cl)ccc12.
What is the InChIKey of 6-chloro-N-(2-phenyl-1,5-dihydrotriazol-5-yl)-1H-indole-3-sulfonamide?
The InChIKey is ITRCOQCPZRUWHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClN5O2S/c17-11-6-7-13-14(8-11)18-9-15(13)25(23,24)21-16-10-19-22(20-16)12-4-2-1-3-5-12/h1-10,16,18,20-21H.
What are the key properties of 6-chloro-N-(2-phenyl-1,5-dihydrotriazol-5-yl)-1H-indole-3-sulfonamide?
6-chloro-N-(2-phenyl-1,5-dihydrotriazol-5-yl)-1H-indole-3-sulfonamide has a molecular weight of 375.84 g/mol, XLogP of 2.44, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-(2-phenyl-1,5-dihydrotriazol-5-yl)-1H-indole-3-sulfonamide is sourced from PubChem (CID 176710900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).