N-[2-chloro-4-[(1-phenylcyclopropanecarbonyl)amino]phenyl]-3-methylsulfonylbenzamide

C24H21ClN2O4S — CID 24667783

IUPACN-[2-chloro-4-[(1-phenylcyclopropanecarbonyl)amino]phenyl]-3-methylsulfonylbenzamide
SMILESCS(=O)(=O)c1cccc(C(=O)Nc2ccc(NC(=O)C3(c4ccccc4)CC3)cc2Cl)c1
InChIInChI=1S/C24H21ClN2O4S/c1-32(30,31)19-9-5-6-16(14-19)22(28)27-21-11-10-18(15-20(21)25)26-23(29)24(12-13-24)17-7-3-2-4-8-17/h2-11,14-15H,12-13H2,1H3,(H,26,29)(H,27,28)
InChIKeyZIKADHCETJHARC-UHFFFAOYSA-N
MW468.96 g/mol
LogP4.67
Rot. Bonds6

About N-[2-chloro-4-[(1-phenylcyclopropanecarbonyl)amino]phenyl]-3-methylsulfonylbenzamide

N-[2-chloro-4-[(1-phenylcyclopropanecarbonyl)amino]phenyl]-3-methylsulfonylbenzamide (PubChem CID 24667783) has the molecular formula C24H21ClN2O4S and a molecular weight of 468.96 g/mol. Its IUPAC name is N-[2-chloro-4-[(1-phenylcyclopropanecarbonyl)amino]phenyl]-3-methylsulfonylbenzamide.

Molecular Properties

Compound NameN-[2-chloro-4-[(1-phenylcyclopropanecarbonyl)amino]phenyl]-3-methylsulfonylbenzamide
PubChem CID24667783
Molecular FormulaC24H21ClN2O4S
Molecular Weight468.96 g/mol
Exact Mass468.09
IUPAC NameN-[2-chloro-4-[(1-phenylcyclopropanecarbonyl)amino]phenyl]-3-methylsulfonylbenzamide
SMILESCS(=O)(=O)c1cccc(C(=O)Nc2ccc(NC(=O)C3(c4ccccc4)CC3)cc2Cl)c1
InChIInChI=1S/C24H21ClN2O4S/c1-32(30,31)19-9-5-6-16(14-19)22(28)27-21-11-10-18(15-20(21)25)26-23(29)24(12-13-24)17-7-3-2-4-8-17/h2-11,14-15H,12-13H2,1H3,(H,26,29)(H,27,28)
InChIKeyZIKADHCETJHARC-UHFFFAOYSA-N
XLogP4.67
TPSA92.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.96
LogP ≤ 54.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-chloro-4-(4-methylpentanoylamino)phenyl]-3-methylsulfonylbenzamide
CID 25471452
N-[2-chloro-4-(cyclopentanecarbonylamino)phenyl]-3-methylsulfonylbenzamide
CID 24667735
N-(4-amino-2-chlorophenyl)-3-methylsulfonylbenzamide
CID 16773286
N-[3-chloro-4-[(3-methylsulfonylbenzoyl)amino]phenyl]-3-(methoxymethyl)benzamide
CID 24667859
N-[2-chloro-4-[[(E)-3-(3-methylphenyl)prop-2-enoyl]amino]phenyl]-3-methylsulfonylbenzamide
CID 24667824
N-[2-chloro-4-[[(E)-3-(4-ethylphenyl)prop-2-enoyl]amino]phenyl]-3-methylsulfonylbenzamide
CID 24667870
1-(4-bromophenyl)-N-(3-methylsulfonylphenyl)cyclopropane-1-carboxamide
CID 33159530
N-[2-chloro-4-[2-(4-methylphenoxy)propanoylamino]phenyl]-3-methylsulfonylbenzamide
CID 24667792
N-[3-chloro-4-[(3-methylsulfonylbenzoyl)amino]phenyl]-3-pyrrol-1-ylthiophene-2-carboxamide
CID 24668370
N-[2-chloro-4-[[(E)-3-(2-ethoxyphenyl)prop-2-enoyl]amino]phenyl]-3-methylsulfonylbenzamide
CID 24667823
N-(2-methyl-5-methylsulfonylphenyl)-1-phenylcyclopropane-1-carboxamide
CID 51073188
3-[[1-(4-chlorophenyl)cyclopropanecarbonyl]amino]-N-methylbenzamide
CID 43000556

Frequently Asked Questions

What is the IUPAC name of N-[2-chloro-4-[(1-phenylcyclopropanecarbonyl)amino]phenyl]-3-methylsulfonylbenzamide?
The IUPAC name of N-[2-chloro-4-[(1-phenylcyclopropanecarbonyl)amino]phenyl]-3-methylsulfonylbenzamide (CID 24667783) is N-[2-chloro-4-[(1-phenylcyclopropanecarbonyl)amino]phenyl]-3-methylsulfonylbenzamide.
What is the SMILES notation for N-[2-chloro-4-[(1-phenylcyclopropanecarbonyl)amino]phenyl]-3-methylsulfonylbenzamide?
The canonical SMILES for N-[2-chloro-4-[(1-phenylcyclopropanecarbonyl)amino]phenyl]-3-methylsulfonylbenzamide is CS(=O)(=O)c1cccc(C(=O)Nc2ccc(NC(=O)C3(c4ccccc4)CC3)cc2Cl)c1.
What is the InChIKey of N-[2-chloro-4-[(1-phenylcyclopropanecarbonyl)amino]phenyl]-3-methylsulfonylbenzamide?
The InChIKey is ZIKADHCETJHARC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21ClN2O4S/c1-32(30,31)19-9-5-6-16(14-19)22(28)27-21-11-10-18(15-20(21)25)26-23(29)24(12-13-24)17-7-3-2-4-8-17/h2-11,14-15H,12-13H2,1H3,(H,26,29)(H,27,28).
What are the key properties of N-[2-chloro-4-[(1-phenylcyclopropanecarbonyl)amino]phenyl]-3-methylsulfonylbenzamide?
N-[2-chloro-4-[(1-phenylcyclopropanecarbonyl)amino]phenyl]-3-methylsulfonylbenzamide has a molecular weight of 468.96 g/mol, XLogP of 4.67, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-chloro-4-[(1-phenylcyclopropanecarbonyl)amino]phenyl]-3-methylsulfonylbenzamide is sourced from PubChem (CID 24667783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).