2-chloro-3-methyl-4-methylsulfonyl-N-(1-methyltetrazol-5-yl)benzamide

C11H12ClN5O3S — CID 154630758

IUPAC2-chloro-3-methyl-4-methylsulfonyl-N-(1-methyltetrazol-5-yl)benzamide
SMILESCc1c(S(C)(=O)=O)ccc(C(=O)Nc2nnnn2C)c1Cl
InChIInChI=1S/C11H12ClN5O3S/c1-6-8(21(3,19)20)5-4-7(9(6)12)10(18)13-11-14-15-16-17(11)2/h4-5H,1-3H3,(H,13,14,16,18)
InChIKeyNJYIOYWNPVLKIZ-UHFFFAOYSA-N
MW329.77 g/mol
LogP0.83
Rot. Bonds3

About 2-chloro-3-methyl-4-methylsulfonyl-N-(1-methyltetrazol-5-yl)benzamide

2-chloro-3-methyl-4-methylsulfonyl-N-(1-methyltetrazol-5-yl)benzamide (PubChem CID 154630758) has the molecular formula C11H12ClN5O3S and a molecular weight of 329.77 g/mol. Its IUPAC name is 2-chloro-3-methyl-4-methylsulfonyl-N-(1-methyltetrazol-5-yl)benzamide.

Molecular Properties

Compound Name2-chloro-3-methyl-4-methylsulfonyl-N-(1-methyltetrazol-5-yl)benzamide
PubChem CID154630758
Molecular FormulaC11H12ClN5O3S
Molecular Weight329.77 g/mol
Exact Mass329.03
IUPAC Name2-chloro-3-methyl-4-methylsulfonyl-N-(1-methyltetrazol-5-yl)benzamide
SMILESCc1c(S(C)(=O)=O)ccc(C(=O)Nc2nnnn2C)c1Cl
InChIInChI=1S/C11H12ClN5O3S/c1-6-8(21(3,19)20)5-4-7(9(6)12)10(18)13-11-14-15-16-17(11)2/h4-5H,1-3H3,(H,13,14,16,18)
InChIKeyNJYIOYWNPVLKIZ-UHFFFAOYSA-N
XLogP0.83
TPSA106.84 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.77
LogP ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-chloro-3-methyl-4-methylsulfonyl-N-(1-methyltetrazol-5-yl)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-chloro-3-methyl-4-methylsulfonyl-N-(1-methyltetrazol-5-yl)benzamide?
The IUPAC name of 2-chloro-3-methyl-4-methylsulfonyl-N-(1-methyltetrazol-5-yl)benzamide (CID 154630758) is 2-chloro-3-methyl-4-methylsulfonyl-N-(1-methyltetrazol-5-yl)benzamide.
What is the SMILES notation for 2-chloro-3-methyl-4-methylsulfonyl-N-(1-methyltetrazol-5-yl)benzamide?
The canonical SMILES for 2-chloro-3-methyl-4-methylsulfonyl-N-(1-methyltetrazol-5-yl)benzamide is Cc1c(S(C)(=O)=O)ccc(C(=O)Nc2nnnn2C)c1Cl.
What is the InChIKey of 2-chloro-3-methyl-4-methylsulfonyl-N-(1-methyltetrazol-5-yl)benzamide?
The InChIKey is NJYIOYWNPVLKIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClN5O3S/c1-6-8(21(3,19)20)5-4-7(9(6)12)10(18)13-11-14-15-16-17(11)2/h4-5H,1-3H3,(H,13,14,16,18).
What are the key properties of 2-chloro-3-methyl-4-methylsulfonyl-N-(1-methyltetrazol-5-yl)benzamide?
2-chloro-3-methyl-4-methylsulfonyl-N-(1-methyltetrazol-5-yl)benzamide has a molecular weight of 329.77 g/mol, XLogP of 0.83, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-3-methyl-4-methylsulfonyl-N-(1-methyltetrazol-5-yl)benzamide is sourced from PubChem (CID 154630758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).