N-[(1R,2S)-2-(4-chloro-3-fluorophenyl)cyclopropyl]-3-(diethylsulfamoyl)benzamide

C20H22ClFN2O3S — CID 139011561

IUPACN-[(1R,2S)-2-(4-chloro-3-fluorophenyl)cyclopropyl]-3-(diethylsulfamoyl)benzamide
SMILESCCN(CC)S(=O)(=O)c1cccc(C(=O)N[C@@H]2C[C@H]2c2ccc(Cl)c(F)c2)c1
InChIInChI=1S/C20H22ClFN2O3S/c1-3-24(4-2)28(26,27)15-7-5-6-14(10-15)20(25)23-19-12-16(19)13-8-9-17(21)18(22)11-13/h5-11,16,19H,3-4,12H2,1-2H3,(H,23,25)/t16-,19+/m0/s1
InChIKeyITQRBIXRDVWWHV-QFBILLFUSA-N
MW424.93 g/mol
LogP3.80
Rot. Bonds7

About N-[(1R,2S)-2-(4-chloro-3-fluorophenyl)cyclopropyl]-3-(diethylsulfamoyl)benzamide

N-[(1R,2S)-2-(4-chloro-3-fluorophenyl)cyclopropyl]-3-(diethylsulfamoyl)benzamide (PubChem CID 139011561) has the molecular formula C20H22ClFN2O3S and a molecular weight of 424.93 g/mol. Its IUPAC name is N-[(1R,2S)-2-(4-chloro-3-fluorophenyl)cyclopropyl]-3-(diethylsulfamoyl)benzamide.

Molecular Properties

Compound NameN-[(1R,2S)-2-(4-chloro-3-fluorophenyl)cyclopropyl]-3-(diethylsulfamoyl)benzamide
PubChem CID139011561
Molecular FormulaC20H22ClFN2O3S
Molecular Weight424.93 g/mol
Exact Mass424.10
IUPAC NameN-[(1R,2S)-2-(4-chloro-3-fluorophenyl)cyclopropyl]-3-(diethylsulfamoyl)benzamide
SMILESCCN(CC)S(=O)(=O)c1cccc(C(=O)N[C@@H]2C[C@H]2c2ccc(Cl)c(F)c2)c1
InChIInChI=1S/C20H22ClFN2O3S/c1-3-24(4-2)28(26,27)15-7-5-6-14(10-15)20(25)23-19-12-16(19)13-8-9-17(21)18(22)11-13/h5-11,16,19H,3-4,12H2,1-2H3,(H,23,25)/t16-,19+/m0/s1
InChIKeyITQRBIXRDVWWHV-QFBILLFUSA-N
XLogP3.80
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.93
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1R,2S)-2-(4-fluorophenyl)cyclopropyl]-3-[methyl(phenyl)sulfamoyl]benzamide
CID 139010906
3-[[(3,4-dichlorobenzoyl)amino]carbamoyl]-N,N-diethylbenzenesulfonamide
CID 26654573
N-[2-(aminomethyl)cyclohexyl]-3-(diethylsulfamoyl)benzamide;hydrochloride
CID 119610921
3-(diethylsulfamoyl)-N-(3-methylpiperidin-4-yl)benzamide
CID 120556196
3-(diethylsulfamoyl)-N-methylbenzamide
CID 47099917
3-(diethylsulfamoyl)benzoyl chloride
CID 7730328
N-cyclopropyl-3-[2,2-difluoroethyl(ethyl)sulfamoyl]benzamide
CID 146089268
3-(diethylsulfamoyl)-N-(8-fluoro-3,4-dihydro-2H-thiochromen-4-yl)benzamide
CID 17477542
N,N-diethyl-3-[[[2-(2-fluorophenyl)acetyl]amino]carbamoyl]benzenesulfonamide
CID 34523393
N-[(1S,2R)-2-(3-ethoxyphenyl)cyclopropyl]-3-(prop-2-ynylsulfamoyl)benzamide
CID 97258923
3-(diethylsulfamoyl)-N-propylbenzamide
CID 2709423
N-[(1R,2S)-2-(2-bromophenyl)cyclopropyl]-3-(dimethylsulfamoyl)benzamide
CID 139010390

Frequently Asked Questions

What is the IUPAC name of N-[(1R,2S)-2-(4-chloro-3-fluorophenyl)cyclopropyl]-3-(diethylsulfamoyl)benzamide?
The IUPAC name of N-[(1R,2S)-2-(4-chloro-3-fluorophenyl)cyclopropyl]-3-(diethylsulfamoyl)benzamide (CID 139011561) is N-[(1R,2S)-2-(4-chloro-3-fluorophenyl)cyclopropyl]-3-(diethylsulfamoyl)benzamide.
What is the SMILES notation for N-[(1R,2S)-2-(4-chloro-3-fluorophenyl)cyclopropyl]-3-(diethylsulfamoyl)benzamide?
The canonical SMILES for N-[(1R,2S)-2-(4-chloro-3-fluorophenyl)cyclopropyl]-3-(diethylsulfamoyl)benzamide is CCN(CC)S(=O)(=O)c1cccc(C(=O)N[C@@H]2C[C@H]2c2ccc(Cl)c(F)c2)c1.
What is the InChIKey of N-[(1R,2S)-2-(4-chloro-3-fluorophenyl)cyclopropyl]-3-(diethylsulfamoyl)benzamide?
The InChIKey is ITQRBIXRDVWWHV-QFBILLFUSA-N. The full InChI is InChI=1S/C20H22ClFN2O3S/c1-3-24(4-2)28(26,27)15-7-5-6-14(10-15)20(25)23-19-12-16(19)13-8-9-17(21)18(22)11-13/h5-11,16,19H,3-4,12H2,1-2H3,(H,23,25)/t16-,19+/m0/s1.
What are the key properties of N-[(1R,2S)-2-(4-chloro-3-fluorophenyl)cyclopropyl]-3-(diethylsulfamoyl)benzamide?
N-[(1R,2S)-2-(4-chloro-3-fluorophenyl)cyclopropyl]-3-(diethylsulfamoyl)benzamide has a molecular weight of 424.93 g/mol, XLogP of 3.80, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,2S)-2-(4-chloro-3-fluorophenyl)cyclopropyl]-3-(diethylsulfamoyl)benzamide is sourced from PubChem (CID 139011561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).