N-[2-chloro-4-(cyclopentanecarbonylamino)phenyl]-3-methylsulfonylbenzamide

C20H21ClN2O4S — CID 24667735

IUPACN-[2-chloro-4-(cyclopentanecarbonylamino)phenyl]-3-methylsulfonylbenzamide
SMILESCS(=O)(=O)c1cccc(C(=O)Nc2ccc(NC(=O)C3CCCC3)cc2Cl)c1
InChIInChI=1S/C20H21ClN2O4S/c1-28(26,27)16-8-4-7-14(11-16)20(25)23-18-10-9-15(12-17(18)21)22-19(24)13-5-2-3-6-13/h4,7-13H,2-3,5-6H2,1H3,(H,22,24)(H,23,25)
InChIKeyGEMZNHVFCNLPIV-UHFFFAOYSA-N
MW420.92 g/mol
LogP4.12
Rot. Bonds5

About N-[2-chloro-4-(cyclopentanecarbonylamino)phenyl]-3-methylsulfonylbenzamide

N-[2-chloro-4-(cyclopentanecarbonylamino)phenyl]-3-methylsulfonylbenzamide (PubChem CID 24667735) has the molecular formula C20H21ClN2O4S and a molecular weight of 420.92 g/mol. Its IUPAC name is N-[2-chloro-4-(cyclopentanecarbonylamino)phenyl]-3-methylsulfonylbenzamide.

Molecular Properties

Compound NameN-[2-chloro-4-(cyclopentanecarbonylamino)phenyl]-3-methylsulfonylbenzamide
PubChem CID24667735
Molecular FormulaC20H21ClN2O4S
Molecular Weight420.92 g/mol
Exact Mass420.09
IUPAC NameN-[2-chloro-4-(cyclopentanecarbonylamino)phenyl]-3-methylsulfonylbenzamide
SMILESCS(=O)(=O)c1cccc(C(=O)Nc2ccc(NC(=O)C3CCCC3)cc2Cl)c1
InChIInChI=1S/C20H21ClN2O4S/c1-28(26,27)16-8-4-7-14(11-16)20(25)23-18-10-9-15(12-17(18)21)22-19(24)13-5-2-3-6-13/h4,7-13H,2-3,5-6H2,1H3,(H,22,24)(H,23,25)
InChIKeyGEMZNHVFCNLPIV-UHFFFAOYSA-N
XLogP4.12
TPSA92.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.92
LogP ≤ 54.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[5-(cyclopropanecarbonylamino)-2-methylphenyl]-3-methylsulfonylbenzamide
CID 55711603
3-(cyclopropanecarbonylamino)-N-(3-methylsulfonylphenyl)benzamide
CID 33156436
N-(4-amino-2-chlorophenyl)-3-methylsulfonylbenzamide
CID 16773286
N-[[3-(cyclopentanecarbonylamino)phenyl]methyl]-3-methylsulfonylbenzamide
CID 55894164
N-[3-chloro-4-[(3-methylsulfonylbenzoyl)amino]phenyl]-3-(methoxymethyl)benzamide
CID 24667859
N-[2-chloro-4-(4-methylpentanoylamino)phenyl]-3-methylsulfonylbenzamide
CID 25471452
N-[2-chloro-4-[(1-phenylcyclopropanecarbonyl)amino]phenyl]-3-methylsulfonylbenzamide
CID 24667783
N-[2-chloro-4-[[(E)-3-(3-methylphenyl)prop-2-enoyl]amino]phenyl]-3-methylsulfonylbenzamide
CID 24667824
(3R)-N-[3-methyl-4-[(3-methylsulfonylbenzoyl)amino]phenyl]-1-pyrimidin-2-ylpiperidine-3-carboxamide
CID 30840938
N-(2-bromo-3-chlorophenyl)-3-methylsulfonylbenzamide
CID 103480003
N-[2-chloro-4-[2-(4-methylphenoxy)propanoylamino]phenyl]-3-methylsulfonylbenzamide
CID 24667792
N-[2-chloro-4-[[(E)-3-(4-nitrophenyl)prop-2-enoyl]amino]phenyl]-3-methylsulfonylbenzamide
CID 35350015

Frequently Asked Questions

What is the IUPAC name of N-[2-chloro-4-(cyclopentanecarbonylamino)phenyl]-3-methylsulfonylbenzamide?
The IUPAC name of N-[2-chloro-4-(cyclopentanecarbonylamino)phenyl]-3-methylsulfonylbenzamide (CID 24667735) is N-[2-chloro-4-(cyclopentanecarbonylamino)phenyl]-3-methylsulfonylbenzamide.
What is the SMILES notation for N-[2-chloro-4-(cyclopentanecarbonylamino)phenyl]-3-methylsulfonylbenzamide?
The canonical SMILES for N-[2-chloro-4-(cyclopentanecarbonylamino)phenyl]-3-methylsulfonylbenzamide is CS(=O)(=O)c1cccc(C(=O)Nc2ccc(NC(=O)C3CCCC3)cc2Cl)c1.
What is the InChIKey of N-[2-chloro-4-(cyclopentanecarbonylamino)phenyl]-3-methylsulfonylbenzamide?
The InChIKey is GEMZNHVFCNLPIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21ClN2O4S/c1-28(26,27)16-8-4-7-14(11-16)20(25)23-18-10-9-15(12-17(18)21)22-19(24)13-5-2-3-6-13/h4,7-13H,2-3,5-6H2,1H3,(H,22,24)(H,23,25).
What are the key properties of N-[2-chloro-4-(cyclopentanecarbonylamino)phenyl]-3-methylsulfonylbenzamide?
N-[2-chloro-4-(cyclopentanecarbonylamino)phenyl]-3-methylsulfonylbenzamide has a molecular weight of 420.92 g/mol, XLogP of 4.12, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-chloro-4-(cyclopentanecarbonylamino)phenyl]-3-methylsulfonylbenzamide is sourced from PubChem (CID 24667735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).