1-(2-chloroanilino)-3-(1-naphthalen-1-yltetrazol-5-yl)sulfanylpropan-2-ol

C20H18ClN5OS — CID 5275138

IUPAC1-(2-chloroanilino)-3-(1-naphthalen-1-yltetrazol-5-yl)sulfanylpropan-2-ol
SMILESOC(CNc1ccccc1Cl)CSc1nnnn1-c1cccc2ccccc12
InChIInChI=1S/C20H18ClN5OS/c21-17-9-3-4-10-18(17)22-12-15(27)13-28-20-23-24-25-26(20)19-11-5-7-14-6-1-2-8-16(14)19/h1-11,15,22,27H,12-13H2
InChIKeyNVULWXIGUWTZNS-UHFFFAOYSA-N
MW411.92 g/mol
LogP4.03
Rot. Bonds7

About 1-(2-chloroanilino)-3-(1-naphthalen-1-yltetrazol-5-yl)sulfanylpropan-2-ol

1-(2-chloroanilino)-3-(1-naphthalen-1-yltetrazol-5-yl)sulfanylpropan-2-ol (PubChem CID 5275138) has the molecular formula C20H18ClN5OS and a molecular weight of 411.92 g/mol. Its IUPAC name is 1-(2-chloroanilino)-3-(1-naphthalen-1-yltetrazol-5-yl)sulfanylpropan-2-ol.

Molecular Properties

Compound Name1-(2-chloroanilino)-3-(1-naphthalen-1-yltetrazol-5-yl)sulfanylpropan-2-ol
PubChem CID5275138
Molecular FormulaC20H18ClN5OS
Molecular Weight411.92 g/mol
Exact Mass411.09
IUPAC Name1-(2-chloroanilino)-3-(1-naphthalen-1-yltetrazol-5-yl)sulfanylpropan-2-ol
SMILESOC(CNc1ccccc1Cl)CSc1nnnn1-c1cccc2ccccc12
InChIInChI=1S/C20H18ClN5OS/c21-17-9-3-4-10-18(17)22-12-15(27)13-28-20-23-24-25-26(20)19-11-5-7-14-6-1-2-8-16(14)19/h1-11,15,22,27H,12-13H2
InChIKeyNVULWXIGUWTZNS-UHFFFAOYSA-N
XLogP4.03
TPSA75.86 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.92
LogP ≤ 54.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-(2-chlorophenyl)-2-(1-naphthalen-1-yltetrazol-5-yl)sulfanylacetamide
CID 5275073
N-[3-chloro-4-(4-morpholinyl)phenyl]-2-{[1-(1-naphthyl)-1H-tetrazol-5-yl]thio}acetamide
CID 1251070
N-(2,4-dichlorophenyl)-2-[1-(1-naphthyl)tetrazol-5-yl]sulfanyl-acetamide
CID 5275096
1-(2-Chlorophenyl)-3-[1-(1-naphthyl)tetrazol-5-yl]sulfanyl-propan-2-ol
CID 5275126
N-(2-chloro-4-phenyl-phenyl)-2-[1-(1-naphthyl)tetrazol-5-yl]sulfanyl-acetamide
CID 5275100
N-(2,6-dichlorophenyl)-2-[1-(1-naphthyl)tetrazol-5-yl]sulfanyl-acetamide
CID 5275103
N-(2-chlorophenyl)-2-[1-(1-naphthyl)tetrazol-5-yl]sulfanyl-thioacetamide
CID 5275116
1-(2-Chlorophenyl)-3-[2-[1-(1-naphthyl)tetrazol-5-yl]sulfanylethyl]urea
CID 5275142
N-(2-chlorophenyl)-N-methyl-2-[1-(1-naphthyl)tetrazol-5-yl]sulfanyl-acetamide
CID 5275149
1-(2-Chlorophenyl)-3-[1-(1-naphthyl)tetrazol-5-yl]sulfanyl-pyrrolidin-2-one
CID 5275153
N-(2-chlorophenyl)-2-[1-(1-naphthyl)tetrazol-5-yl]sulfanyl-propanamide
CID 11509772
N-(2-chlorophenyl)-3-[1-(1-naphthyl)tetrazol-5-yl]sulfanyl-propanamide
CID 11640160

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloroanilino)-3-(1-naphthalen-1-yltetrazol-5-yl)sulfanylpropan-2-ol?
The IUPAC name of 1-(2-chloroanilino)-3-(1-naphthalen-1-yltetrazol-5-yl)sulfanylpropan-2-ol (CID 5275138) is 1-(2-chloroanilino)-3-(1-naphthalen-1-yltetrazol-5-yl)sulfanylpropan-2-ol.
What is the SMILES notation for 1-(2-chloroanilino)-3-(1-naphthalen-1-yltetrazol-5-yl)sulfanylpropan-2-ol?
The canonical SMILES for 1-(2-chloroanilino)-3-(1-naphthalen-1-yltetrazol-5-yl)sulfanylpropan-2-ol is OC(CNc1ccccc1Cl)CSc1nnnn1-c1cccc2ccccc12.
What is the InChIKey of 1-(2-chloroanilino)-3-(1-naphthalen-1-yltetrazol-5-yl)sulfanylpropan-2-ol?
The InChIKey is NVULWXIGUWTZNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18ClN5OS/c21-17-9-3-4-10-18(17)22-12-15(27)13-28-20-23-24-25-26(20)19-11-5-7-14-6-1-2-8-16(14)19/h1-11,15,22,27H,12-13H2.
What are the key properties of 1-(2-chloroanilino)-3-(1-naphthalen-1-yltetrazol-5-yl)sulfanylpropan-2-ol?
1-(2-chloroanilino)-3-(1-naphthalen-1-yltetrazol-5-yl)sulfanylpropan-2-ol has a molecular weight of 411.92 g/mol, XLogP of 4.03, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloroanilino)-3-(1-naphthalen-1-yltetrazol-5-yl)sulfanylpropan-2-ol is sourced from PubChem (CID 5275138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).