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

C11H12ClN5O4S2 — CID 90211633

IUPAC2-chloro-3-methylsulfinyl-4-methylsulfonyl-N-(1-methyltetrazol-5-yl)benzamide
SMILESCn1nnnc1NC(=O)c1ccc(S(C)(=O)=O)c(S(C)=O)c1Cl
InChIInChI=1S/C11H12ClN5O4S2/c1-17-11(14-15-16-17)13-10(18)6-4-5-7(23(3,20)21)9(8(6)12)22(2)19/h4-5H,1-3H3,(H,13,14,16,18)
InChIKeyGMPOTPSMGDGUDI-UHFFFAOYSA-N
MW377.84 g/mol
LogP0.26
Rot. Bonds4

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

2-chloro-3-methylsulfinyl-4-methylsulfonyl-N-(1-methyltetrazol-5-yl)benzamide (PubChem CID 90211633) has the molecular formula C11H12ClN5O4S2 and a molecular weight of 377.84 g/mol. Its IUPAC name is 2-chloro-3-methylsulfinyl-4-methylsulfonyl-N-(1-methyltetrazol-5-yl)benzamide.

Molecular Properties

Compound Name2-chloro-3-methylsulfinyl-4-methylsulfonyl-N-(1-methyltetrazol-5-yl)benzamide
PubChem CID90211633
Molecular FormulaC11H12ClN5O4S2
Molecular Weight377.84 g/mol
Exact Mass377.00
IUPAC Name2-chloro-3-methylsulfinyl-4-methylsulfonyl-N-(1-methyltetrazol-5-yl)benzamide
SMILESCn1nnnc1NC(=O)c1ccc(S(C)(=O)=O)c(S(C)=O)c1Cl
InChIInChI=1S/C11H12ClN5O4S2/c1-17-11(14-15-16-17)13-10(18)6-4-5-7(23(3,20)21)9(8(6)12)22(2)19/h4-5H,1-3H3,(H,13,14,16,18)
InChIKeyGMPOTPSMGDGUDI-UHFFFAOYSA-N
XLogP0.26
TPSA123.91 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.84
LogP ≤ 50.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-3-methylsulfinyl-4-methylsulfonyl-N-(1-methyltetrazol-5-yl)benzamide?
The IUPAC name of 2-chloro-3-methylsulfinyl-4-methylsulfonyl-N-(1-methyltetrazol-5-yl)benzamide (CID 90211633) is 2-chloro-3-methylsulfinyl-4-methylsulfonyl-N-(1-methyltetrazol-5-yl)benzamide.
What is the SMILES notation for 2-chloro-3-methylsulfinyl-4-methylsulfonyl-N-(1-methyltetrazol-5-yl)benzamide?
The canonical SMILES for 2-chloro-3-methylsulfinyl-4-methylsulfonyl-N-(1-methyltetrazol-5-yl)benzamide is Cn1nnnc1NC(=O)c1ccc(S(C)(=O)=O)c(S(C)=O)c1Cl.
What is the InChIKey of 2-chloro-3-methylsulfinyl-4-methylsulfonyl-N-(1-methyltetrazol-5-yl)benzamide?
The InChIKey is GMPOTPSMGDGUDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClN5O4S2/c1-17-11(14-15-16-17)13-10(18)6-4-5-7(23(3,20)21)9(8(6)12)22(2)19/h4-5H,1-3H3,(H,13,14,16,18).
What are the key properties of 2-chloro-3-methylsulfinyl-4-methylsulfonyl-N-(1-methyltetrazol-5-yl)benzamide?
2-chloro-3-methylsulfinyl-4-methylsulfonyl-N-(1-methyltetrazol-5-yl)benzamide has a molecular weight of 377.84 g/mol, XLogP of 0.26, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-3-methylsulfinyl-4-methylsulfonyl-N-(1-methyltetrazol-5-yl)benzamide is sourced from PubChem (CID 90211633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).