N-ethoxy-4-methylsulfonyl-N-(1-methyltetrazol-5-yl)benzamide

C12H15N5O4S — CID 129203959

IUPACN-ethoxy-4-methylsulfonyl-N-(1-methyltetrazol-5-yl)benzamide
SMILESCCON(C(=O)c1ccc(S(C)(=O)=O)cc1)c1nnnn1C
InChIInChI=1S/C12H15N5O4S/c1-4-21-17(12-13-14-15-16(12)2)11(18)9-5-7-10(8-6-9)22(3,19)20/h5-8H,4H2,1-3H3
InChIKeyPDPGBYPTPSYBSO-UHFFFAOYSA-N
MW325.35 g/mol
LogP0.21
Rot. Bonds5

About N-ethoxy-4-methylsulfonyl-N-(1-methyltetrazol-5-yl)benzamide

N-ethoxy-4-methylsulfonyl-N-(1-methyltetrazol-5-yl)benzamide (PubChem CID 129203959) has the molecular formula C12H15N5O4S and a molecular weight of 325.35 g/mol. Its IUPAC name is N-ethoxy-4-methylsulfonyl-N-(1-methyltetrazol-5-yl)benzamide.

Molecular Properties

Compound NameN-ethoxy-4-methylsulfonyl-N-(1-methyltetrazol-5-yl)benzamide
PubChem CID129203959
Molecular FormulaC12H15N5O4S
Molecular Weight325.35 g/mol
Exact Mass325.08
IUPAC NameN-ethoxy-4-methylsulfonyl-N-(1-methyltetrazol-5-yl)benzamide
SMILESCCON(C(=O)c1ccc(S(C)(=O)=O)cc1)c1nnnn1C
InChIInChI=1S/C12H15N5O4S/c1-4-21-17(12-13-14-15-16(12)2)11(18)9-5-7-10(8-6-9)22(3,19)20/h5-8H,4H2,1-3H3
InChIKeyPDPGBYPTPSYBSO-UHFFFAOYSA-N
XLogP0.21
TPSA107.28 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.35
LogP ≤ 50.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

ethyl 4-(4-methylsulfonylphenyl)benzoate
CID 122488161
2-(1-tert-butyltetrazol-5-yl)sulfanyl-1-(4-methylsulfonylphenyl)ethanone
CID 18285557
N-(1-hydroperoxyethenyl)-N-methyl-4-methylsulfonylbenzamide
CID 59702786
N-(azetidin-3-yl)-N-ethyl-4-methylsulfonylbenzamide
CID 66184040
N-[(2-ethoxyphenyl)methyl]-N-ethyl-4-methylsulfonylbenzamide
CID 46987200
N,N-diethyl-2-[5-(4-methylsulfonylphenyl)tetrazol-2-yl]acetamide
CID 6491357
ethyl 1-methyl-4-[(4-methylsulfonylbenzoyl)amino]pyrrole-3-carboxylate
CID 166263240
2-[(2-amino-2-oxoethyl)-(4-methylsulfonylbenzoyl)amino]acetic acid
CID 107434144
N-methyl-N-(2-methylpropyl)-4-methylsulfonylbenzamide
CID 134058555
4-methylsulfonylbenzamide;hydrochloride
CID 71184405
N-(ethylcarbamoyl)-4-fluoro-N-(4-methylsulfonylphenyl)benzamide
CID 10883011
N-[(4-bromophenyl)methyl]-N-methyl-4-methylsulfonylbenzamide
CID 9416389

Frequently Asked Questions

What is the IUPAC name of N-ethoxy-4-methylsulfonyl-N-(1-methyltetrazol-5-yl)benzamide?
The IUPAC name of N-ethoxy-4-methylsulfonyl-N-(1-methyltetrazol-5-yl)benzamide (CID 129203959) is N-ethoxy-4-methylsulfonyl-N-(1-methyltetrazol-5-yl)benzamide.
What is the SMILES notation for N-ethoxy-4-methylsulfonyl-N-(1-methyltetrazol-5-yl)benzamide?
The canonical SMILES for N-ethoxy-4-methylsulfonyl-N-(1-methyltetrazol-5-yl)benzamide is CCON(C(=O)c1ccc(S(C)(=O)=O)cc1)c1nnnn1C.
What is the InChIKey of N-ethoxy-4-methylsulfonyl-N-(1-methyltetrazol-5-yl)benzamide?
The InChIKey is PDPGBYPTPSYBSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N5O4S/c1-4-21-17(12-13-14-15-16(12)2)11(18)9-5-7-10(8-6-9)22(3,19)20/h5-8H,4H2,1-3H3.
What are the key properties of N-ethoxy-4-methylsulfonyl-N-(1-methyltetrazol-5-yl)benzamide?
N-ethoxy-4-methylsulfonyl-N-(1-methyltetrazol-5-yl)benzamide has a molecular weight of 325.35 g/mol, XLogP of 0.21, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethoxy-4-methylsulfonyl-N-(1-methyltetrazol-5-yl)benzamide is sourced from PubChem (CID 129203959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).