(2S)-2-(benzenesulfonamido)-N-[3-(5-methyltetrazol-1-yl)phenyl]propanamide

C17H18N6O3S — CID 55939907

IUPAC(2S)-2-(benzenesulfonamido)-N-[3-(5-methyltetrazol-1-yl)phenyl]propanamide
SMILESCc1nnnn1-c1cccc(NC(=O)[C@H](C)NS(=O)(=O)c2ccccc2)c1
InChIInChI=1S/C17H18N6O3S/c1-12(20-27(25,26)16-9-4-3-5-10-16)17(24)18-14-7-6-8-15(11-14)23-13(2)19-21-22-23/h3-12,20H,1-2H3,(H,18,24)/t12-/m0/s1
InChIKeyIHZSGYOFVZGPID-LBPRGKRZSA-N
MW386.44 g/mol
LogP1.28
Rot. Bonds6

About (2S)-2-(benzenesulfonamido)-N-[3-(5-methyltetrazol-1-yl)phenyl]propanamide

(2S)-2-(benzenesulfonamido)-N-[3-(5-methyltetrazol-1-yl)phenyl]propanamide (PubChem CID 55939907) has the molecular formula C17H18N6O3S and a molecular weight of 386.44 g/mol. Its IUPAC name is (2S)-2-(benzenesulfonamido)-N-[3-(5-methyltetrazol-1-yl)phenyl]propanamide.

Molecular Properties

Compound Name(2S)-2-(benzenesulfonamido)-N-[3-(5-methyltetrazol-1-yl)phenyl]propanamide
PubChem CID55939907
Molecular FormulaC17H18N6O3S
Molecular Weight386.44 g/mol
Exact Mass386.12
IUPAC Name(2S)-2-(benzenesulfonamido)-N-[3-(5-methyltetrazol-1-yl)phenyl]propanamide
SMILESCc1nnnn1-c1cccc(NC(=O)[C@H](C)NS(=O)(=O)c2ccccc2)c1
InChIInChI=1S/C17H18N6O3S/c1-12(20-27(25,26)16-9-4-3-5-10-16)17(24)18-14-7-6-8-15(11-14)23-13(2)19-21-22-23/h3-12,20H,1-2H3,(H,18,24)/t12-/m0/s1
InChIKeyIHZSGYOFVZGPID-LBPRGKRZSA-N
XLogP1.28
TPSA118.87 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.44
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

2-hydroxy-N-[3-(5-methyltetrazol-1-yl)phenyl]-2-phenylacetamide
CID 111432358
(2S)-2-amino-3-methyl-N-[3-(5-methyltetrazol-1-yl)phenyl]butanamide
CID 61178099
2-methylsulfanyl-N-[3-(5-methyltetrazol-1-yl)phenyl]propanamide
CID 47329361
(2R)-2-amino-4-methyl-N-[3-(5-methyltetrazol-1-yl)phenyl]pentanamide
CID 104902927
(2S)-2-(benzenesulfonamido)-N-phenylpropanamide
CID 41330853
2-amino-3-methyl-N-[3-(5-methyltetrazol-1-yl)phenyl]pentanamide
CID 43713354
4-(benzenesulfonylmethyl)-N-[3-(5-methyltetrazol-1-yl)phenyl]benzamide
CID 55762438
5-amino-2-methyl-N-[3-(5-methyltetrazol-1-yl)phenyl]pentanamide
CID 104684147
phenyl N-[3-(5-methyltetrazol-1-yl)phenyl]carbamate
CID 69112128
2-(aminomethyl)-N-[3-(5-methyltetrazol-1-yl)phenyl]pentanamide
CID 65230278
2-methyl-N-[3-(5-methyltetrazol-1-yl)phenyl]benzamide
CID 18717027
2-(3-tert-butylphenoxy)-N-[3-(5-methyltetrazol-1-yl)phenyl]propanamide
CID 55777773

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(benzenesulfonamido)-N-[3-(5-methyltetrazol-1-yl)phenyl]propanamide?
The IUPAC name of (2S)-2-(benzenesulfonamido)-N-[3-(5-methyltetrazol-1-yl)phenyl]propanamide (CID 55939907) is (2S)-2-(benzenesulfonamido)-N-[3-(5-methyltetrazol-1-yl)phenyl]propanamide.
What is the SMILES notation for (2S)-2-(benzenesulfonamido)-N-[3-(5-methyltetrazol-1-yl)phenyl]propanamide?
The canonical SMILES for (2S)-2-(benzenesulfonamido)-N-[3-(5-methyltetrazol-1-yl)phenyl]propanamide is Cc1nnnn1-c1cccc(NC(=O)[C@H](C)NS(=O)(=O)c2ccccc2)c1.
What is the InChIKey of (2S)-2-(benzenesulfonamido)-N-[3-(5-methyltetrazol-1-yl)phenyl]propanamide?
The InChIKey is IHZSGYOFVZGPID-LBPRGKRZSA-N. The full InChI is InChI=1S/C17H18N6O3S/c1-12(20-27(25,26)16-9-4-3-5-10-16)17(24)18-14-7-6-8-15(11-14)23-13(2)19-21-22-23/h3-12,20H,1-2H3,(H,18,24)/t12-/m0/s1.
What are the key properties of (2S)-2-(benzenesulfonamido)-N-[3-(5-methyltetrazol-1-yl)phenyl]propanamide?
(2S)-2-(benzenesulfonamido)-N-[3-(5-methyltetrazol-1-yl)phenyl]propanamide has a molecular weight of 386.44 g/mol, XLogP of 1.28, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(benzenesulfonamido)-N-[3-(5-methyltetrazol-1-yl)phenyl]propanamide is sourced from PubChem (CID 55939907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).