4-chloro-N-[2-methyl-1-(1-phenyltetrazol-5-yl)sulfanylpropan-2-yl]benzenesulfonamide

C17H18ClN5O2S2 — CID 2146795

IUPAC4-chloro-N-[2-methyl-1-(1-phenyltetrazol-5-yl)sulfanylpropan-2-yl]benzenesulfonamide
SMILESCC(C)(CSc1nnnn1-c1ccccc1)NS(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C17H18ClN5O2S2/c1-17(2,20-27(24,25)15-10-8-13(18)9-11-15)12-26-16-19-21-22-23(16)14-6-4-3-5-7-14/h3-11,20H,12H2,1-2H3
InChIKeyGSOBIWJDWZUABD-UHFFFAOYSA-N
MW423.95 g/mol
LogP3.16
Rot. Bonds7

About 4-chloro-N-[2-methyl-1-(1-phenyltetrazol-5-yl)sulfanylpropan-2-yl]benzenesulfonamide

4-chloro-N-[2-methyl-1-(1-phenyltetrazol-5-yl)sulfanylpropan-2-yl]benzenesulfonamide (PubChem CID 2146795) has the molecular formula C17H18ClN5O2S2 and a molecular weight of 423.95 g/mol. Its IUPAC name is 4-chloro-N-[2-methyl-1-(1-phenyltetrazol-5-yl)sulfanylpropan-2-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-chloro-N-[2-methyl-1-(1-phenyltetrazol-5-yl)sulfanylpropan-2-yl]benzenesulfonamide
PubChem CID2146795
Molecular FormulaC17H18ClN5O2S2
Molecular Weight423.95 g/mol
Exact Mass423.06
IUPAC Name4-chloro-N-[2-methyl-1-(1-phenyltetrazol-5-yl)sulfanylpropan-2-yl]benzenesulfonamide
SMILESCC(C)(CSc1nnnn1-c1ccccc1)NS(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C17H18ClN5O2S2/c1-17(2,20-27(24,25)15-10-8-13(18)9-11-15)12-26-16-19-21-22-23(16)14-6-4-3-5-7-14/h3-11,20H,12H2,1-2H3
InChIKeyGSOBIWJDWZUABD-UHFFFAOYSA-N
XLogP3.16
TPSA89.77 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.95
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[2-methyl-1-(1-phenyltetrazol-5-yl)sulfanylpropan-2-yl]benzenesulfonamide
CID 2146793
N-[1-[(4-amino-1,2,4-triazol-3-yl)sulfanyl]-2-methylpropan-2-yl]-4-chlorobenzenesulfonamide
CID 1086088
1-(4-chlorophenyl)-5-(2-methylsulfonylethylsulfanyl)tetrazole
CID 47096811
4-chloro-N-(2-methylbutan-2-yl)benzenesulfonamide
CID 841727
dimethyl-[2-(1-phenyltetrazol-5-yl)sulfanylethyl]azanium
CID 4064141
N-[(4-chlorophenyl)methyl]-3-(1-phenyltetrazol-5-yl)sulfanylpropan-1-amine
CID 17123296
N-(4-chlorophenyl)-N-[2-(1-phenyltetrazol-5-yl)sulfanylethyl]carbamate
CID 22305422
1-(4-chlorophenyl)-5-(3-phenylprop-2-ynylsulfanyl)tetrazole
CID 134065651
N-(5-chloro-2-methylphenyl)-3-(1-phenyltetrazol-5-yl)sulfanylpropanamide
CID 23775373
tert-butyl 3-(1-phenyltetrazol-5-yl)sulfanylpropanoate
CID 115580444
2-(1-phenyltetrazol-5-yl)sulfanyl-N-[2-(1-phenyltetrazol-5-yl)sulfanylacetyl]acetamide
CID 17325155
3,3-dimethyl-1-(1-phenyltetrazol-5-yl)sulfanylbutan-2-amine
CID 64648593

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[2-methyl-1-(1-phenyltetrazol-5-yl)sulfanylpropan-2-yl]benzenesulfonamide?
The IUPAC name of 4-chloro-N-[2-methyl-1-(1-phenyltetrazol-5-yl)sulfanylpropan-2-yl]benzenesulfonamide (CID 2146795) is 4-chloro-N-[2-methyl-1-(1-phenyltetrazol-5-yl)sulfanylpropan-2-yl]benzenesulfonamide.
What is the SMILES notation for 4-chloro-N-[2-methyl-1-(1-phenyltetrazol-5-yl)sulfanylpropan-2-yl]benzenesulfonamide?
The canonical SMILES for 4-chloro-N-[2-methyl-1-(1-phenyltetrazol-5-yl)sulfanylpropan-2-yl]benzenesulfonamide is CC(C)(CSc1nnnn1-c1ccccc1)NS(=O)(=O)c1ccc(Cl)cc1.
What is the InChIKey of 4-chloro-N-[2-methyl-1-(1-phenyltetrazol-5-yl)sulfanylpropan-2-yl]benzenesulfonamide?
The InChIKey is GSOBIWJDWZUABD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClN5O2S2/c1-17(2,20-27(24,25)15-10-8-13(18)9-11-15)12-26-16-19-21-22-23(16)14-6-4-3-5-7-14/h3-11,20H,12H2,1-2H3.
What are the key properties of 4-chloro-N-[2-methyl-1-(1-phenyltetrazol-5-yl)sulfanylpropan-2-yl]benzenesulfonamide?
4-chloro-N-[2-methyl-1-(1-phenyltetrazol-5-yl)sulfanylpropan-2-yl]benzenesulfonamide has a molecular weight of 423.95 g/mol, XLogP of 3.16, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[2-methyl-1-(1-phenyltetrazol-5-yl)sulfanylpropan-2-yl]benzenesulfonamide is sourced from PubChem (CID 2146795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).