2-chloro-3-(methylsulfanylmethyl)-N-(1-methyltetrazol-5-yl)-4-(trifluoromethoxy)benzamide

C12H11ClF3N5O2S — CID 177043628

IUPAC2-chloro-3-(methylsulfanylmethyl)-N-(1-methyltetrazol-5-yl)-4-(trifluoromethoxy)benzamide
SMILESCSCc1c(OC(F)(F)F)ccc(C(=O)Nc2nnnn2C)c1Cl
InChIInChI=1S/C12H11ClF3N5O2S/c1-21-11(18-19-20-21)17-10(22)6-3-4-8(23-12(14,15)16)7(5-24-2)9(6)13/h3-4H,5H2,1-2H3,(H,17,18,20,22)
InChIKeyCFHZRVDHGAPBRF-UHFFFAOYSA-N
MW381.77 g/mol
LogP2.88
Rot. Bonds5

About 2-chloro-3-(methylsulfanylmethyl)-N-(1-methyltetrazol-5-yl)-4-(trifluoromethoxy)benzamide

2-chloro-3-(methylsulfanylmethyl)-N-(1-methyltetrazol-5-yl)-4-(trifluoromethoxy)benzamide (PubChem CID 177043628) has the molecular formula C12H11ClF3N5O2S and a molecular weight of 381.77 g/mol. Its IUPAC name is 2-chloro-3-(methylsulfanylmethyl)-N-(1-methyltetrazol-5-yl)-4-(trifluoromethoxy)benzamide.

Molecular Properties

Compound Name2-chloro-3-(methylsulfanylmethyl)-N-(1-methyltetrazol-5-yl)-4-(trifluoromethoxy)benzamide
PubChem CID177043628
Molecular FormulaC12H11ClF3N5O2S
Molecular Weight381.77 g/mol
Exact Mass381.03
IUPAC Name2-chloro-3-(methylsulfanylmethyl)-N-(1-methyltetrazol-5-yl)-4-(trifluoromethoxy)benzamide
SMILESCSCc1c(OC(F)(F)F)ccc(C(=O)Nc2nnnn2C)c1Cl
InChIInChI=1S/C12H11ClF3N5O2S/c1-21-11(18-19-20-21)17-10(22)6-3-4-8(23-12(14,15)16)7(5-24-2)9(6)13/h3-4H,5H2,1-2H3,(H,17,18,20,22)
InChIKeyCFHZRVDHGAPBRF-UHFFFAOYSA-N
XLogP2.88
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.77
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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

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

Launch Full Analysis

Related Compounds

2-chloro-3-(methylamino)-N-(1-methyltetrazol-5-yl)-4-(trifluoromethoxy)benzamide
CID 168840928
2-chloro-3-(2-ethylbutanoylamino)-N-(1-methyltetrazol-5-yl)-4-(trifluoromethoxy)benzamide
CID 168841030
N-[2-chloro-3-[(1-methyltetrazol-5-yl)carbamoyl]-6-(trifluoromethoxy)phenyl]-3-(difluoromethyl)-1-methylpyrazole-4-carboxamide
CID 168841016
N-[2-chloro-3-[(1-methyltetrazol-5-yl)carbamoyl]-6-(trifluoromethoxy)phenyl]-2-methylpyridine-4-carboxamide
CID 168841046
3-amino-2-chloro-N-(1-ethyltetrazol-5-yl)-4-(trifluoromethoxy)benzamide
CID 164529259
2-chloro-3-ethylsulfonyl-N-(1-methyltetrazol-5-yl)-4-(2,2,2-trifluoroethyl)benzamide
CID 166505084
2-chloro-N-(1-ethyltetrazol-5-yl)-3-(2-methylpropanoylamino)-4-(trifluoromethoxy)benzamide
CID 168841014
3-fluoro-2-methylsulfanyl-N-(1-methyltetrazol-5-yl)-4-(trifluoromethyl)benzamide
CID 151659263
2-chloro-3-[(3,5-dichlorobenzoyl)amino]-4-(difluoromethoxy)-N-(1-methyltetrazol-5-yl)benzamide
CID 168840880
3-ethylsulfonyl-2-methyl-N-(1-methyltetrazol-5-yl)-4-(2,2,2-trifluoroethoxy)benzamide
CID 166505089
3-methoxysulfanyl-2-methyl-N-(1-methyltetrazol-5-yl)-4-(trifluoromethyl)benzamide
CID 118639448
4-methoxy-2-methyl-3-methylsulfonyl-N-(1-methyltetrazol-5-yl)benzamide
CID 118639402

Frequently Asked Questions

What is the IUPAC name of 2-chloro-3-(methylsulfanylmethyl)-N-(1-methyltetrazol-5-yl)-4-(trifluoromethoxy)benzamide?
The IUPAC name of 2-chloro-3-(methylsulfanylmethyl)-N-(1-methyltetrazol-5-yl)-4-(trifluoromethoxy)benzamide (CID 177043628) is 2-chloro-3-(methylsulfanylmethyl)-N-(1-methyltetrazol-5-yl)-4-(trifluoromethoxy)benzamide.
What is the SMILES notation for 2-chloro-3-(methylsulfanylmethyl)-N-(1-methyltetrazol-5-yl)-4-(trifluoromethoxy)benzamide?
The canonical SMILES for 2-chloro-3-(methylsulfanylmethyl)-N-(1-methyltetrazol-5-yl)-4-(trifluoromethoxy)benzamide is CSCc1c(OC(F)(F)F)ccc(C(=O)Nc2nnnn2C)c1Cl.
What is the InChIKey of 2-chloro-3-(methylsulfanylmethyl)-N-(1-methyltetrazol-5-yl)-4-(trifluoromethoxy)benzamide?
The InChIKey is CFHZRVDHGAPBRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClF3N5O2S/c1-21-11(18-19-20-21)17-10(22)6-3-4-8(23-12(14,15)16)7(5-24-2)9(6)13/h3-4H,5H2,1-2H3,(H,17,18,20,22).
What are the key properties of 2-chloro-3-(methylsulfanylmethyl)-N-(1-methyltetrazol-5-yl)-4-(trifluoromethoxy)benzamide?
2-chloro-3-(methylsulfanylmethyl)-N-(1-methyltetrazol-5-yl)-4-(trifluoromethoxy)benzamide has a molecular weight of 381.77 g/mol, XLogP of 2.88, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-3-(methylsulfanylmethyl)-N-(1-methyltetrazol-5-yl)-4-(trifluoromethoxy)benzamide is sourced from PubChem (CID 177043628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).