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

C17H19N5O2S2 — CID 2146793

IUPACN-[2-methyl-1-(1-phenyltetrazol-5-yl)sulfanylpropan-2-yl]benzenesulfonamide
SMILESCC(C)(CSc1nnnn1-c1ccccc1)NS(=O)(=O)c1ccccc1
InChIInChI=1S/C17H19N5O2S2/c1-17(2,19-26(23,24)15-11-7-4-8-12-15)13-25-16-18-20-21-22(16)14-9-5-3-6-10-14/h3-12,19H,13H2,1-2H3
InChIKeyBITHGMIXMIJJNJ-UHFFFAOYSA-N
MW389.51 g/mol
LogP2.51
Rot. Bonds7

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

N-[2-methyl-1-(1-phenyltetrazol-5-yl)sulfanylpropan-2-yl]benzenesulfonamide (PubChem CID 2146793) has the molecular formula C17H19N5O2S2 and a molecular weight of 389.51 g/mol. Its IUPAC name is N-[2-methyl-1-(1-phenyltetrazol-5-yl)sulfanylpropan-2-yl]benzenesulfonamide.

Molecular Properties

Compound NameN-[2-methyl-1-(1-phenyltetrazol-5-yl)sulfanylpropan-2-yl]benzenesulfonamide
PubChem CID2146793
Molecular FormulaC17H19N5O2S2
Molecular Weight389.51 g/mol
Exact Mass389.10
IUPAC NameN-[2-methyl-1-(1-phenyltetrazol-5-yl)sulfanylpropan-2-yl]benzenesulfonamide
SMILESCC(C)(CSc1nnnn1-c1ccccc1)NS(=O)(=O)c1ccccc1
InChIInChI=1S/C17H19N5O2S2/c1-17(2,19-26(23,24)15-11-7-4-8-12-15)13-25-16-18-20-21-22(16)14-9-5-3-6-10-14/h3-12,19H,13H2,1-2H3
InChIKeyBITHGMIXMIJJNJ-UHFFFAOYSA-N
XLogP2.51
TPSA89.77 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.51
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

4-chloro-N-[2-methyl-1-(1-phenyltetrazol-5-yl)sulfanylpropan-2-yl]benzenesulfonamide
CID 2146795
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
N-tert-butyl-2-[(1-phenyltetrazol-5-yl)sulfanylmethyl]prop-2-en-1-amine
CID 103068309
N-(4-tert-butylphenyl)-2-(1-phenyltetrazol-5-yl)sulfanylacetamide
CID 982894
dimethyl-[2-(1-phenyltetrazol-5-yl)sulfanylethyl]azanium
CID 4064141
N-(3-tert-butyl-1-phenylpyrazol-5-yl)-2-(1-phenyltetrazol-5-yl)sulfanylacetamide
CID 2125863
2-(1-phenyltetrazol-5-yl)sulfanyl-N,N-di(propan-2-yl)acetamide
CID 1449901
tert-butyl 3-(1-phenyltetrazol-5-yl)sulfanylpropanoate
CID 115580444
S-(1-phenyltetrazol-5-yl) 2-(1-phenyltetrazol-5-yl)sulfanylethanethioate
CID 3359421
2-[1-(4-methylsulfonylphenyl)tetrazol-5-yl]sulfanylacetic acid
CID 29070462
2-methyl-3-(1-phenyltetrazol-5-yl)sulfanylpropanoic acid
CID 43538118

Frequently Asked Questions

What is the IUPAC name of N-[2-methyl-1-(1-phenyltetrazol-5-yl)sulfanylpropan-2-yl]benzenesulfonamide?
The IUPAC name of N-[2-methyl-1-(1-phenyltetrazol-5-yl)sulfanylpropan-2-yl]benzenesulfonamide (CID 2146793) is N-[2-methyl-1-(1-phenyltetrazol-5-yl)sulfanylpropan-2-yl]benzenesulfonamide.
What is the SMILES notation for N-[2-methyl-1-(1-phenyltetrazol-5-yl)sulfanylpropan-2-yl]benzenesulfonamide?
The canonical SMILES for N-[2-methyl-1-(1-phenyltetrazol-5-yl)sulfanylpropan-2-yl]benzenesulfonamide is CC(C)(CSc1nnnn1-c1ccccc1)NS(=O)(=O)c1ccccc1.
What is the InChIKey of N-[2-methyl-1-(1-phenyltetrazol-5-yl)sulfanylpropan-2-yl]benzenesulfonamide?
The InChIKey is BITHGMIXMIJJNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N5O2S2/c1-17(2,19-26(23,24)15-11-7-4-8-12-15)13-25-16-18-20-21-22(16)14-9-5-3-6-10-14/h3-12,19H,13H2,1-2H3.
What are the key properties of N-[2-methyl-1-(1-phenyltetrazol-5-yl)sulfanylpropan-2-yl]benzenesulfonamide?
N-[2-methyl-1-(1-phenyltetrazol-5-yl)sulfanylpropan-2-yl]benzenesulfonamide has a molecular weight of 389.51 g/mol, XLogP of 2.51, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methyl-1-(1-phenyltetrazol-5-yl)sulfanylpropan-2-yl]benzenesulfonamide is sourced from PubChem (CID 2146793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).