N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-2,3-dihydro-1H-indene-5-sulfonamide

C17H15ClN4O2S — CID 18197740

IUPACN-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-2,3-dihydro-1H-indene-5-sulfonamide
SMILESO=S(=O)(Nc1cc(Cl)ccc1-n1cncn1)c1ccc2c(c1)CCC2
InChIInChI=1S/C17H15ClN4O2S/c18-14-5-7-17(22-11-19-10-20-22)16(9-14)21-25(23,24)15-6-4-12-2-1-3-13(12)8-15/h4-11,21H,1-3H2
InChIKeyPVFXVZPVIQYDTG-UHFFFAOYSA-N
MW374.85 g/mol
LogP3.21
Rot. Bonds4

About N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-2,3-dihydro-1H-indene-5-sulfonamide

N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-2,3-dihydro-1H-indene-5-sulfonamide (PubChem CID 18197740) has the molecular formula C17H15ClN4O2S and a molecular weight of 374.85 g/mol. Its IUPAC name is N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-2,3-dihydro-1H-indene-5-sulfonamide.

Molecular Properties

Compound NameN-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-2,3-dihydro-1H-indene-5-sulfonamide
PubChem CID18197740
Molecular FormulaC17H15ClN4O2S
Molecular Weight374.85 g/mol
Exact Mass374.06
IUPAC NameN-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-2,3-dihydro-1H-indene-5-sulfonamide
SMILESO=S(=O)(Nc1cc(Cl)ccc1-n1cncn1)c1ccc2c(c1)CCC2
InChIInChI=1S/C17H15ClN4O2S/c18-14-5-7-17(22-11-19-10-20-22)16(9-14)21-25(23,24)15-6-4-12-2-1-3-13(12)8-15/h4-11,21H,1-3H2
InChIKeyPVFXVZPVIQYDTG-UHFFFAOYSA-N
XLogP3.21
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.85
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-chloro-N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-2-fluorobenzenesulfonamide
CID 9184424
N-(2-bromo-5-chlorophenyl)-2,3-dihydro-1H-indene-5-sulfonamide
CID 81260770
2-chloro-N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]ethanesulfonamide
CID 107650644
N-[6-(1,2,4-triazol-1-yl)pyrimidin-4-yl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 121135441
N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-1,3,5-trimethylpyrazole-4-sulfonamide
CID 8823497
4-propan-2-yl-N-[2-(1,2,4-triazol-1-yl)-5-(trifluoromethyl)phenyl]benzenesulfonamide
CID 7745907
N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-2-(3,4-dihydro-1H-isoquinolin-2-yl)acetamide
CID 8897148
5-chloro-N-ethyl-2-(1,2,4-triazol-1-yl)aniline
CID 43228690
N-(2-methyl-1,2,4-triazol-3-yl)-2,3-dihydro-1H-indene-5-sulfonamide
CID 71917726
N-pyrimidin-5-yl-2,3-dihydro-1H-indene-5-sulfonamide
CID 167882461
N-(5-bromo-2-chlorophenyl)-2,3-dihydro-1H-indene-5-sulfonamide
CID 62908088
5-chloro-N-(2,6-dimethylcyclohexyl)-2-(1,2,4-triazol-1-yl)aniline
CID 43680892

Frequently Asked Questions

What is the IUPAC name of N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-2,3-dihydro-1H-indene-5-sulfonamide?
The IUPAC name of N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-2,3-dihydro-1H-indene-5-sulfonamide (CID 18197740) is N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-2,3-dihydro-1H-indene-5-sulfonamide.
What is the SMILES notation for N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-2,3-dihydro-1H-indene-5-sulfonamide?
The canonical SMILES for N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-2,3-dihydro-1H-indene-5-sulfonamide is O=S(=O)(Nc1cc(Cl)ccc1-n1cncn1)c1ccc2c(c1)CCC2.
What is the InChIKey of N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-2,3-dihydro-1H-indene-5-sulfonamide?
The InChIKey is PVFXVZPVIQYDTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClN4O2S/c18-14-5-7-17(22-11-19-10-20-22)16(9-14)21-25(23,24)15-6-4-12-2-1-3-13(12)8-15/h4-11,21H,1-3H2.
What are the key properties of N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-2,3-dihydro-1H-indene-5-sulfonamide?
N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-2,3-dihydro-1H-indene-5-sulfonamide has a molecular weight of 374.85 g/mol, XLogP of 3.21, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-2,3-dihydro-1H-indene-5-sulfonamide is sourced from PubChem (CID 18197740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).