N-[1-[(4-chlorophenyl)methyl]-1,2,4-triazol-3-yl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide

C19H19ClN4O2S — CID 20896504

IUPACN-[1-[(4-chlorophenyl)methyl]-1,2,4-triazol-3-yl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
SMILESO=S(=O)(Nc1ncn(Cc2ccc(Cl)cc2)n1)c1ccc2c(c1)CCCC2
InChIInChI=1S/C19H19ClN4O2S/c20-17-8-5-14(6-9-17)12-24-13-21-19(22-24)23-27(25,26)18-10-7-15-3-1-2-4-16(15)11-18/h5-11,13H,1-4,12H2,(H,22,23)
InChIKeyYXJOPXGTYDEUOQ-UHFFFAOYSA-N
MW402.91 g/mol
LogP3.66
Rot. Bonds5

About N-[1-[(4-chlorophenyl)methyl]-1,2,4-triazol-3-yl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide

N-[1-[(4-chlorophenyl)methyl]-1,2,4-triazol-3-yl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide (PubChem CID 20896504) has the molecular formula C19H19ClN4O2S and a molecular weight of 402.91 g/mol. Its IUPAC name is N-[1-[(4-chlorophenyl)methyl]-1,2,4-triazol-3-yl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide.

Molecular Properties

Compound NameN-[1-[(4-chlorophenyl)methyl]-1,2,4-triazol-3-yl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
PubChem CID20896504
Molecular FormulaC19H19ClN4O2S
Molecular Weight402.91 g/mol
Exact Mass402.09
IUPAC NameN-[1-[(4-chlorophenyl)methyl]-1,2,4-triazol-3-yl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
SMILESO=S(=O)(Nc1ncn(Cc2ccc(Cl)cc2)n1)c1ccc2c(c1)CCCC2
InChIInChI=1S/C19H19ClN4O2S/c20-17-8-5-14(6-9-17)12-24-13-21-19(22-24)23-27(25,26)18-10-7-15-3-1-2-4-16(15)11-18/h5-11,13H,1-4,12H2,(H,22,23)
InChIKeyYXJOPXGTYDEUOQ-UHFFFAOYSA-N
XLogP3.66
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.91
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-[(4-chlorophenyl)methyl]-1,2,4-triazol-3-yl]benzenesulfonamide
CID 22771811
N-(1-benzyl-1,2,4-triazol-3-yl)-4-chlorobenzenesulfonamide
CID 19581941
N-[1-[(4-chlorophenyl)methyl]-1,2,4-triazol-3-yl]-2,3,4,5,6-pentamethylbenzenesulfonamide
CID 22771837
N-[1-[(3,4-dichlorophenyl)methyl]-1,2,4-triazol-3-yl]naphthalene-2-sulfonamide
CID 22771997
4-chloro-N-[1-[(2-fluorophenyl)methyl]-1,2,4-triazol-3-yl]benzenesulfonamide
CID 4770418
N-[1-[(3-chlorophenyl)methyl]-1,2,4-triazol-3-yl]-4-(2-methylpropyl)benzenesulfonamide
CID 22772069
N-[1-[(4-chlorophenyl)methyl]-1,2,4-triazol-3-yl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 19582127
N-[1-[(3,4-dichlorophenyl)methyl]-1,2,4-triazol-3-yl]-1-methylpyrazole-4-sulfonamide
CID 17022537
N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]-2,3-dihydro-1H-indene-5-sulfonamide
CID 26531885
N-(2-chloropyrimidin-4-yl)-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 116798867
N-(2-chloro-3-pyridinyl)-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 26969819
N-[4-bromo-1-[(4-chlorophenyl)methyl]pyrazol-3-yl]-3,4-difluorobenzenesulfonamide
CID 22201835

Frequently Asked Questions

What is the IUPAC name of N-[1-[(4-chlorophenyl)methyl]-1,2,4-triazol-3-yl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide?
The IUPAC name of N-[1-[(4-chlorophenyl)methyl]-1,2,4-triazol-3-yl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide (CID 20896504) is N-[1-[(4-chlorophenyl)methyl]-1,2,4-triazol-3-yl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide.
What is the SMILES notation for N-[1-[(4-chlorophenyl)methyl]-1,2,4-triazol-3-yl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide?
The canonical SMILES for N-[1-[(4-chlorophenyl)methyl]-1,2,4-triazol-3-yl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide is O=S(=O)(Nc1ncn(Cc2ccc(Cl)cc2)n1)c1ccc2c(c1)CCCC2.
What is the InChIKey of N-[1-[(4-chlorophenyl)methyl]-1,2,4-triazol-3-yl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide?
The InChIKey is YXJOPXGTYDEUOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClN4O2S/c20-17-8-5-14(6-9-17)12-24-13-21-19(22-24)23-27(25,26)18-10-7-15-3-1-2-4-16(15)11-18/h5-11,13H,1-4,12H2,(H,22,23).
What are the key properties of N-[1-[(4-chlorophenyl)methyl]-1,2,4-triazol-3-yl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide?
N-[1-[(4-chlorophenyl)methyl]-1,2,4-triazol-3-yl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide has a molecular weight of 402.91 g/mol, XLogP of 3.66, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(4-chlorophenyl)methyl]-1,2,4-triazol-3-yl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide is sourced from PubChem (CID 20896504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).