N-[(1S,2S)-2-(2-chlorophenyl)cyclopropyl]-4-methylsulfonylbenzamide

C17H16ClNO3S — CID 95295464

IUPACN-[(1S,2S)-2-(2-chlorophenyl)cyclopropyl]-4-methylsulfonylbenzamide
SMILESCS(=O)(=O)c1ccc(C(=O)N[C@H]2C[C@H]2c2ccccc2Cl)cc1
InChIInChI=1S/C17H16ClNO3S/c1-23(21,22)12-8-6-11(7-9-12)17(20)19-16-10-14(16)13-4-2-3-5-15(13)18/h2-9,14,16H,10H2,1H3,(H,19,20)/t14-,16-/m0/s1
InChIKeyNDHASXKKCNHTPN-HOCLYGCPSA-N
MW349.84 g/mol
LogP3.03
Rot. Bonds4

About N-[(1S,2S)-2-(2-chlorophenyl)cyclopropyl]-4-methylsulfonylbenzamide

N-[(1S,2S)-2-(2-chlorophenyl)cyclopropyl]-4-methylsulfonylbenzamide (PubChem CID 95295464) has the molecular formula C17H16ClNO3S and a molecular weight of 349.84 g/mol. Its IUPAC name is N-[(1S,2S)-2-(2-chlorophenyl)cyclopropyl]-4-methylsulfonylbenzamide.

Molecular Properties

Compound NameN-[(1S,2S)-2-(2-chlorophenyl)cyclopropyl]-4-methylsulfonylbenzamide
PubChem CID95295464
Molecular FormulaC17H16ClNO3S
Molecular Weight349.84 g/mol
Exact Mass349.05
IUPAC NameN-[(1S,2S)-2-(2-chlorophenyl)cyclopropyl]-4-methylsulfonylbenzamide
SMILESCS(=O)(=O)c1ccc(C(=O)N[C@H]2C[C@H]2c2ccccc2Cl)cc1
InChIInChI=1S/C17H16ClNO3S/c1-23(21,22)12-8-6-11(7-9-12)17(20)19-16-10-14(16)13-4-2-3-5-15(13)18/h2-9,14,16H,10H2,1H3,(H,19,20)/t14-,16-/m0/s1
InChIKeyNDHASXKKCNHTPN-HOCLYGCPSA-N
XLogP3.03
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.84
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1R,2S)-2-(2-bromophenyl)cyclopropyl]-4-methylbenzamide
CID 100649749
N-[2-(2-chlorophenyl)cyclopropyl]-2-methoxyacetamide
CID 90019460
N-[(1S,2R)-2-(2-chlorophenyl)cyclopropyl]-2-methoxyacetamide
CID 90020152
N-[(1S,2R)-2-(2-chlorophenyl)cyclopropyl]-4-methylpentanamide
CID 97014434
N-(2-aminocycloheptyl)-4-methylsulfonylbenzamide
CID 63258076
N-[(1R,2R)-2-[2-(4-chlorophenyl)ethylamino]cyclopentyl]-4-methylsulfonylbenzamide
CID 10295688
N-[(1R,2S)-2-(2-chlorophenyl)cyclopropyl]-2-(4-fluorophenyl)acetamide
CID 166359293
4-methylsulfonyl-N-[[(15R)-15-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenyl]methyl]benzamide
CID 25496478
N-[(E)-(2-chlorophenyl)methylideneamino]-4-methylsulfonylbenzamide
CID 155806357
N-[(1S,2R)-2-phenylcyclopropyl]benzamide
CID 7350127
N-[(1R,2S)-2-(2-chlorophenyl)cyclopropyl]-7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 95320603
N-[(2R,3R)-2-(4-chlorophenyl)-1-methyl-5-oxopyrrolidin-3-yl]-4-methylsulfonylbenzamide
CID 97253069

Frequently Asked Questions

What is the IUPAC name of N-[(1S,2S)-2-(2-chlorophenyl)cyclopropyl]-4-methylsulfonylbenzamide?
The IUPAC name of N-[(1S,2S)-2-(2-chlorophenyl)cyclopropyl]-4-methylsulfonylbenzamide (CID 95295464) is N-[(1S,2S)-2-(2-chlorophenyl)cyclopropyl]-4-methylsulfonylbenzamide.
What is the SMILES notation for N-[(1S,2S)-2-(2-chlorophenyl)cyclopropyl]-4-methylsulfonylbenzamide?
The canonical SMILES for N-[(1S,2S)-2-(2-chlorophenyl)cyclopropyl]-4-methylsulfonylbenzamide is CS(=O)(=O)c1ccc(C(=O)N[C@H]2C[C@H]2c2ccccc2Cl)cc1.
What is the InChIKey of N-[(1S,2S)-2-(2-chlorophenyl)cyclopropyl]-4-methylsulfonylbenzamide?
The InChIKey is NDHASXKKCNHTPN-HOCLYGCPSA-N. The full InChI is InChI=1S/C17H16ClNO3S/c1-23(21,22)12-8-6-11(7-9-12)17(20)19-16-10-14(16)13-4-2-3-5-15(13)18/h2-9,14,16H,10H2,1H3,(H,19,20)/t14-,16-/m0/s1.
What are the key properties of N-[(1S,2S)-2-(2-chlorophenyl)cyclopropyl]-4-methylsulfonylbenzamide?
N-[(1S,2S)-2-(2-chlorophenyl)cyclopropyl]-4-methylsulfonylbenzamide has a molecular weight of 349.84 g/mol, XLogP of 3.03, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S,2S)-2-(2-chlorophenyl)cyclopropyl]-4-methylsulfonylbenzamide is sourced from PubChem (CID 95295464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).