4-(2-chlorophenyl)-N-cyclohexyl-N-ethyl-5-oxotetrazole-1-carboxamide;N-[2,4-dichloro-5-[4-(difluoromethyl)-3-methyl-5-oxo-1,2,4-triazol-1-yl]phenyl]methanesulfonamide

C27H30Cl3F2N9O5S — CID 70137576

IUPAC4-(2-chlorophenyl)-N-cyclohexyl-N-ethyl-5-oxotetrazole-1-carboxamide;N-[2,4-dichloro-5-[4-(difluoromethyl)-3-methyl-5-oxo-1,2,4-triazol-1-yl]phenyl]methanesulfonamide
SMILESCCN(C(=O)n1nnn(-c2ccccc2Cl)c1=O)C1CCCCC1.Cc1nn(-c2cc(NS(C)(=O)=O)c(Cl)cc2Cl)c(=O)n1C(F)F
InChIInChI=1S/C16H20ClN5O2.C11H10Cl2F2N4O3S/c1-2-20(12-8-4-3-5-9-12)15(23)22-16(24)21(18-19-22)14-11-7-6-10-13(14)17;1-5-16-19(11(20)18(5)10(14)15)9-4-8(17-23(2,21)22)6(12)3-7(9)13/h6-7,10-12H,2-5,8-9H2,1H3;3-4,10,17H,1-2H3
InChIKeyKDOWPPSVFHPZCM-UHFFFAOYSA-N
MW737.02 g/mol
LogP5.12
Rot. Bonds7

About 4-(2-chlorophenyl)-N-cyclohexyl-N-ethyl-5-oxotetrazole-1-carboxamide;N-[2,4-dichloro-5-[4-(difluoromethyl)-3-methyl-5-oxo-1,2,4-triazol-1-yl]phenyl]methanesulfonamide

4-(2-chlorophenyl)-N-cyclohexyl-N-ethyl-5-oxotetrazole-1-carboxamide;N-[2,4-dichloro-5-[4-(difluoromethyl)-3-methyl-5-oxo-1,2,4-triazol-1-yl]phenyl]methanesulfonamide (PubChem CID 70137576) has the molecular formula C27H30Cl3F2N9O5S and a molecular weight of 737.02 g/mol. Its IUPAC name is 4-(2-chlorophenyl)-N-cyclohexyl-N-ethyl-5-oxotetrazole-1-carboxamide;N-[2,4-dichloro-5-[4-(difluoromethyl)-3-methyl-5-oxo-1,2,4-triazol-1-yl]phenyl]methanesulfonamide.

Molecular Properties

Compound Name4-(2-chlorophenyl)-N-cyclohexyl-N-ethyl-5-oxotetrazole-1-carboxamide;N-[2,4-dichloro-5-[4-(difluoromethyl)-3-methyl-5-oxo-1,2,4-triazol-1-yl]phenyl]methanesulfonamide
PubChem CID70137576
Molecular FormulaC27H30Cl3F2N9O5S
Molecular Weight737.02 g/mol
Exact Mass735.11
IUPAC Name4-(2-chlorophenyl)-N-cyclohexyl-N-ethyl-5-oxotetrazole-1-carboxamide;N-[2,4-dichloro-5-[4-(difluoromethyl)-3-methyl-5-oxo-1,2,4-triazol-1-yl]phenyl]methanesulfonamide
SMILESCCN(C(=O)n1nnn(-c2ccccc2Cl)c1=O)C1CCCCC1.Cc1nn(-c2cc(NS(C)(=O)=O)c(Cl)cc2Cl)c(=O)n1C(F)F
InChIInChI=1S/C16H20ClN5O2.C11H10Cl2F2N4O3S/c1-2-20(12-8-4-3-5-9-12)15(23)22-16(24)21(18-19-22)14-11-7-6-10-13(14)17;1-5-16-19(11(20)18(5)10(14)15)9-4-8(17-23(2,21)22)6(12)3-7(9)13/h6-7,10-12H,2-5,8-9H2,1H3;3-4,10,17H,1-2H3
InChIKeyKDOWPPSVFHPZCM-UHFFFAOYSA-N
XLogP5.12
TPSA159.01 Ų
H-Bond Donors1
H-Bond Acceptors12
Rotatable Bonds7
Heavy Atoms47
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500737.02
LogP ≤ 55.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'amidotetrazole', 'substructure': 'N/A'}

Analyze 4-(2-chlorophenyl)-N-cyclohexyl-N-ethyl-5-oxotetrazole-1-carboxamide;N-[2,4-dichloro-5-[4-(difluoromethyl)-3-methyl-5-oxo-1,2,4-triazol-1-yl]phenyl]methanesulfonamide 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 4-(2-chlorophenyl)-N-cyclohexyl-N-ethyl-5-oxotetrazole-1-carboxamide;N-[2,4-dichloro-5-[4-(difluoromethyl)-3-methyl-5-oxo-1,2,4-triazol-1-yl]phenyl]methanesulfonamide?
The IUPAC name of 4-(2-chlorophenyl)-N-cyclohexyl-N-ethyl-5-oxotetrazole-1-carboxamide;N-[2,4-dichloro-5-[4-(difluoromethyl)-3-methyl-5-oxo-1,2,4-triazol-1-yl]phenyl]methanesulfonamide (CID 70137576) is 4-(2-chlorophenyl)-N-cyclohexyl-N-ethyl-5-oxotetrazole-1-carboxamide;N-[2,4-dichloro-5-[4-(difluoromethyl)-3-methyl-5-oxo-1,2,4-triazol-1-yl]phenyl]methanesulfonamide.
What is the SMILES notation for 4-(2-chlorophenyl)-N-cyclohexyl-N-ethyl-5-oxotetrazole-1-carboxamide;N-[2,4-dichloro-5-[4-(difluoromethyl)-3-methyl-5-oxo-1,2,4-triazol-1-yl]phenyl]methanesulfonamide?
The canonical SMILES for 4-(2-chlorophenyl)-N-cyclohexyl-N-ethyl-5-oxotetrazole-1-carboxamide;N-[2,4-dichloro-5-[4-(difluoromethyl)-3-methyl-5-oxo-1,2,4-triazol-1-yl]phenyl]methanesulfonamide is CCN(C(=O)n1nnn(-c2ccccc2Cl)c1=O)C1CCCCC1.Cc1nn(-c2cc(NS(C)(=O)=O)c(Cl)cc2Cl)c(=O)n1C(F)F.
What is the InChIKey of 4-(2-chlorophenyl)-N-cyclohexyl-N-ethyl-5-oxotetrazole-1-carboxamide;N-[2,4-dichloro-5-[4-(difluoromethyl)-3-methyl-5-oxo-1,2,4-triazol-1-yl]phenyl]methanesulfonamide?
The InChIKey is KDOWPPSVFHPZCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20ClN5O2.C11H10Cl2F2N4O3S/c1-2-20(12-8-4-3-5-9-12)15(23)22-16(24)21(18-19-22)14-11-7-6-10-13(14)17;1-5-16-19(11(20)18(5)10(14)15)9-4-8(17-23(2,21)22)6(12)3-7(9)13/h6-7,10-12H,2-5,8-9H2,1H3;3-4,10,17H,1-2H3.
What are the key properties of 4-(2-chlorophenyl)-N-cyclohexyl-N-ethyl-5-oxotetrazole-1-carboxamide;N-[2,4-dichloro-5-[4-(difluoromethyl)-3-methyl-5-oxo-1,2,4-triazol-1-yl]phenyl]methanesulfonamide?
4-(2-chlorophenyl)-N-cyclohexyl-N-ethyl-5-oxotetrazole-1-carboxamide;N-[2,4-dichloro-5-[4-(difluoromethyl)-3-methyl-5-oxo-1,2,4-triazol-1-yl]phenyl]methanesulfonamide has a molecular weight of 737.02 g/mol, XLogP of 5.12, 7 rotatable bonds, 1 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-chlorophenyl)-N-cyclohexyl-N-ethyl-5-oxotetrazole-1-carboxamide;N-[2,4-dichloro-5-[4-(difluoromethyl)-3-methyl-5-oxo-1,2,4-triazol-1-yl]phenyl]methanesulfonamide is sourced from PubChem (CID 70137576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).