2-chloro-4-(difluoromethoxy)-N-(1-ethyltetrazol-5-yl)-3-[(4-methylphenyl)sulfonylamino]benzamide

C18H17ClF2N6O4S — CID 170938721

IUPAC2-chloro-4-(difluoromethoxy)-N-(1-ethyltetrazol-5-yl)-3-[(4-methylphenyl)sulfonylamino]benzamide
SMILESCCn1nnnc1NC(=O)c1ccc(OC(F)F)c(NS(=O)(=O)c2ccc(C)cc2)c1Cl
InChIInChI=1S/C18H17ClF2N6O4S/c1-3-27-18(23-25-26-27)22-16(28)12-8-9-13(31-17(20)21)15(14(12)19)24-32(29,30)11-6-4-10(2)5-7-11/h4-9,17,24H,3H2,1-2H3,(H,22,23,26,28)
InChIKeyUAICWJZREWVIHH-UHFFFAOYSA-N
MW486.89 g/mol
LogP3.31
Rot. Bonds8

About 2-chloro-4-(difluoromethoxy)-N-(1-ethyltetrazol-5-yl)-3-[(4-methylphenyl)sulfonylamino]benzamide

2-chloro-4-(difluoromethoxy)-N-(1-ethyltetrazol-5-yl)-3-[(4-methylphenyl)sulfonylamino]benzamide (PubChem CID 170938721) has the molecular formula C18H17ClF2N6O4S and a molecular weight of 486.89 g/mol. Its IUPAC name is 2-chloro-4-(difluoromethoxy)-N-(1-ethyltetrazol-5-yl)-3-[(4-methylphenyl)sulfonylamino]benzamide.

Molecular Properties

Compound Name2-chloro-4-(difluoromethoxy)-N-(1-ethyltetrazol-5-yl)-3-[(4-methylphenyl)sulfonylamino]benzamide
PubChem CID170938721
Molecular FormulaC18H17ClF2N6O4S
Molecular Weight486.89 g/mol
Exact Mass486.07
IUPAC Name2-chloro-4-(difluoromethoxy)-N-(1-ethyltetrazol-5-yl)-3-[(4-methylphenyl)sulfonylamino]benzamide
SMILESCCn1nnnc1NC(=O)c1ccc(OC(F)F)c(NS(=O)(=O)c2ccc(C)cc2)c1Cl
InChIInChI=1S/C18H17ClF2N6O4S/c1-3-27-18(23-25-26-27)22-16(28)12-8-9-13(31-17(20)21)15(14(12)19)24-32(29,30)11-6-4-10(2)5-7-11/h4-9,17,24H,3H2,1-2H3,(H,22,23,26,28)
InChIKeyUAICWJZREWVIHH-UHFFFAOYSA-N
XLogP3.31
TPSA128.10 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.89
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

2-chloro-N-(1-ethyltetrazol-5-yl)-3-(2-methylpropanoylamino)-4-(trifluoromethoxy)benzamide
CID 168841014
3-amino-2-chloro-N-(1-ethyltetrazol-5-yl)-4-(trifluoromethoxy)benzamide
CID 164529259
2-chloro-3-[(3,5-dichlorobenzoyl)amino]-4-(difluoromethoxy)-N-(1-methyltetrazol-5-yl)benzamide
CID 168840880
2-chloro-N-(1-ethyl-2,3-dihydrotetrazol-5-yl)-3-[(4-fluorophenyl)sulfonylamino]-4-(trifluoromethoxy)benzamide
CID 170938722
3,5-dichloro-N-(1-ethyltetrazol-5-yl)-2-methoxybenzamide
CID 957992
4-chloro-N-[2-(difluoromethoxy)-5-methylphenyl]-1-ethylpyrazole-5-carboxamide
CID 19477315
2-chloro-3-(2-ethylbutanoylamino)-N-(1-methyltetrazol-5-yl)-4-(trifluoromethoxy)benzamide
CID 168841030
2-chloro-4-(difluoromethoxy)-N-(1-ethyl-2,3-dihydrotetrazol-5-yl)-3-propylsulfonylbenzamide
CID 166505022
N-(5-acetyl-3-ethyltriazol-4-yl)-4-methylbenzenesulfonamide
CID 135052060
2-chloro-3-(methylamino)-N-(1-methyltetrazol-5-yl)-4-(trifluoromethoxy)benzamide
CID 168840928
methyl 2,4-dichloro-3-[(4-methylphenyl)sulfonylamino]benzoate
CID 169371636
N-[2-chloro-3-[(1-methyltetrazol-5-yl)carbamoyl]-6-(trifluoromethoxy)phenyl]-3-(difluoromethyl)-1-methylpyrazole-4-carboxamide
CID 168841016

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-(difluoromethoxy)-N-(1-ethyltetrazol-5-yl)-3-[(4-methylphenyl)sulfonylamino]benzamide?
The IUPAC name of 2-chloro-4-(difluoromethoxy)-N-(1-ethyltetrazol-5-yl)-3-[(4-methylphenyl)sulfonylamino]benzamide (CID 170938721) is 2-chloro-4-(difluoromethoxy)-N-(1-ethyltetrazol-5-yl)-3-[(4-methylphenyl)sulfonylamino]benzamide.
What is the SMILES notation for 2-chloro-4-(difluoromethoxy)-N-(1-ethyltetrazol-5-yl)-3-[(4-methylphenyl)sulfonylamino]benzamide?
The canonical SMILES for 2-chloro-4-(difluoromethoxy)-N-(1-ethyltetrazol-5-yl)-3-[(4-methylphenyl)sulfonylamino]benzamide is CCn1nnnc1NC(=O)c1ccc(OC(F)F)c(NS(=O)(=O)c2ccc(C)cc2)c1Cl.
What is the InChIKey of 2-chloro-4-(difluoromethoxy)-N-(1-ethyltetrazol-5-yl)-3-[(4-methylphenyl)sulfonylamino]benzamide?
The InChIKey is UAICWJZREWVIHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClF2N6O4S/c1-3-27-18(23-25-26-27)22-16(28)12-8-9-13(31-17(20)21)15(14(12)19)24-32(29,30)11-6-4-10(2)5-7-11/h4-9,17,24H,3H2,1-2H3,(H,22,23,26,28).
What are the key properties of 2-chloro-4-(difluoromethoxy)-N-(1-ethyltetrazol-5-yl)-3-[(4-methylphenyl)sulfonylamino]benzamide?
2-chloro-4-(difluoromethoxy)-N-(1-ethyltetrazol-5-yl)-3-[(4-methylphenyl)sulfonylamino]benzamide has a molecular weight of 486.89 g/mol, XLogP of 3.31, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-(difluoromethoxy)-N-(1-ethyltetrazol-5-yl)-3-[(4-methylphenyl)sulfonylamino]benzamide is sourced from PubChem (CID 170938721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).