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

C11H12ClN5O3S — CID 126572628

IUPAC2-chloro-4-methyl-3-methylsulfonyl-N-(1-methyltetrazol-5-yl)benzamide
SMILESCc1ccc(C(=O)Nc2nnnn2C)c(Cl)c1S(C)(=O)=O
InChIInChI=1S/C11H12ClN5O3S/c1-6-4-5-7(8(12)9(6)21(3,19)20)10(18)13-11-14-15-16-17(11)2/h4-5H,1-3H3,(H,13,14,16,18)
InChIKeyDUBZZJJUWICSAV-UHFFFAOYSA-N
MW329.77 g/mol
LogP0.83
Rot. Bonds3

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

2-chloro-4-methyl-3-methylsulfonyl-N-(1-methyltetrazol-5-yl)benzamide (PubChem CID 126572628) has the molecular formula C11H12ClN5O3S and a molecular weight of 329.77 g/mol. Its IUPAC name is 2-chloro-4-methyl-3-methylsulfonyl-N-(1-methyltetrazol-5-yl)benzamide.

Molecular Properties

Compound Name2-chloro-4-methyl-3-methylsulfonyl-N-(1-methyltetrazol-5-yl)benzamide
PubChem CID126572628
Molecular FormulaC11H12ClN5O3S
Molecular Weight329.77 g/mol
Exact Mass329.03
IUPAC Name2-chloro-4-methyl-3-methylsulfonyl-N-(1-methyltetrazol-5-yl)benzamide
SMILESCc1ccc(C(=O)Nc2nnnn2C)c(Cl)c1S(C)(=O)=O
InChIInChI=1S/C11H12ClN5O3S/c1-6-4-5-7(8(12)9(6)21(3,19)20)10(18)13-11-14-15-16-17(11)2/h4-5H,1-3H3,(H,13,14,16,18)
InChIKeyDUBZZJJUWICSAV-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

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-methyl-3-methylsulfonyl-N-(1-methyltetrazol-5-yl)benzamide?
The IUPAC name of 2-chloro-4-methyl-3-methylsulfonyl-N-(1-methyltetrazol-5-yl)benzamide (CID 126572628) is 2-chloro-4-methyl-3-methylsulfonyl-N-(1-methyltetrazol-5-yl)benzamide.
What is the SMILES notation for 2-chloro-4-methyl-3-methylsulfonyl-N-(1-methyltetrazol-5-yl)benzamide?
The canonical SMILES for 2-chloro-4-methyl-3-methylsulfonyl-N-(1-methyltetrazol-5-yl)benzamide is Cc1ccc(C(=O)Nc2nnnn2C)c(Cl)c1S(C)(=O)=O.
What is the InChIKey of 2-chloro-4-methyl-3-methylsulfonyl-N-(1-methyltetrazol-5-yl)benzamide?
The InChIKey is DUBZZJJUWICSAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClN5O3S/c1-6-4-5-7(8(12)9(6)21(3,19)20)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-4-methyl-3-methylsulfonyl-N-(1-methyltetrazol-5-yl)benzamide?
2-chloro-4-methyl-3-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-4-methyl-3-methylsulfonyl-N-(1-methyltetrazol-5-yl)benzamide is sourced from PubChem (CID 126572628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).