N-[2-(2-chloro-N-methylsulfonylanilino)ethyl]cyclohexanecarboxamide

C16H23ClN2O3S — CID 113069805

IUPACN-[2-(2-chloro-N-methylsulfonylanilino)ethyl]cyclohexanecarboxamide
SMILESCS(=O)(=O)N(CCNC(=O)C1CCCCC1)c1ccccc1Cl
InChIInChI=1S/C16H23ClN2O3S/c1-23(21,22)19(15-10-6-5-9-14(15)17)12-11-18-16(20)13-7-3-2-4-8-13/h5-6,9-10,13H,2-4,7-8,11-12H2,1H3,(H,18,20)
InChIKeyUQOBANOKBWSXJY-UHFFFAOYSA-N
MW358.89 g/mol
LogP2.80
Rot. Bonds6

About N-[2-(2-chloro-N-methylsulfonylanilino)ethyl]cyclohexanecarboxamide

N-[2-(2-chloro-N-methylsulfonylanilino)ethyl]cyclohexanecarboxamide (PubChem CID 113069805) has the molecular formula C16H23ClN2O3S and a molecular weight of 358.89 g/mol. Its IUPAC name is N-[2-(2-chloro-N-methylsulfonylanilino)ethyl]cyclohexanecarboxamide.

Molecular Properties

Compound NameN-[2-(2-chloro-N-methylsulfonylanilino)ethyl]cyclohexanecarboxamide
PubChem CID113069805
Molecular FormulaC16H23ClN2O3S
Molecular Weight358.89 g/mol
Exact Mass358.11
IUPAC NameN-[2-(2-chloro-N-methylsulfonylanilino)ethyl]cyclohexanecarboxamide
SMILESCS(=O)(=O)N(CCNC(=O)C1CCCCC1)c1ccccc1Cl
InChIInChI=1S/C16H23ClN2O3S/c1-23(21,22)19(15-10-6-5-9-14(15)17)12-11-18-16(20)13-7-3-2-4-8-13/h5-6,9-10,13H,2-4,7-8,11-12H2,1H3,(H,18,20)
InChIKeyUQOBANOKBWSXJY-UHFFFAOYSA-N
XLogP2.80
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.89
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(2-tert-butyl-N-methylsulfonylanilino)ethyl]cyclohexanecarboxamide
CID 113069581
N-[2-(2,3-dichloro-N-methylsulfonylanilino)ethyl]cyclopropanecarboxamide
CID 113072050
N-[2-(2,3-dimethyl-N-methylsulfonylanilino)ethyl]cyclohexanecarboxamide
CID 113069097
N-[2-[2-chloro-N-methylsulfonyl-5-(trifluoromethyl)anilino]ethyl]cyclobutanecarboxamide
CID 113071268
N-[2-(2-tert-butyl-N-methylsulfonylanilino)ethyl]cyclopropanecarboxamide
CID 113069578
N-[2-(N-methylsulfonyl-2-morpholin-4-ylanilino)ethyl]cyclobutanecarboxamide
CID 113071421
N-[2-(2-chloro-N-methylsulfonylanilino)ethyl]-4-methylbenzamide
CID 113069814
N-[2-(2-chloro-N-methylsulfonylanilino)ethyl]-2-(2-methylphenyl)acetamide
CID 113069838
N-[2-(4-chloro-2,5-dimethoxy-N-methylsulfonylanilino)ethyl]cyclopropanecarboxamide
CID 113072076
N-[2-(N-acetyl-2-bromoanilino)ethyl]cyclohexanecarboxamide
CID 113062722
N-[2-(2,3-dichloro-N-methylsulfonylanilino)ethyl]acetamide
CID 113072046
N-[2-(2,6-diethyl-N-methylsulfonylanilino)ethyl]cyclopropanecarboxamide
CID 113069505

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-chloro-N-methylsulfonylanilino)ethyl]cyclohexanecarboxamide?
The IUPAC name of N-[2-(2-chloro-N-methylsulfonylanilino)ethyl]cyclohexanecarboxamide (CID 113069805) is N-[2-(2-chloro-N-methylsulfonylanilino)ethyl]cyclohexanecarboxamide.
What is the SMILES notation for N-[2-(2-chloro-N-methylsulfonylanilino)ethyl]cyclohexanecarboxamide?
The canonical SMILES for N-[2-(2-chloro-N-methylsulfonylanilino)ethyl]cyclohexanecarboxamide is CS(=O)(=O)N(CCNC(=O)C1CCCCC1)c1ccccc1Cl.
What is the InChIKey of N-[2-(2-chloro-N-methylsulfonylanilino)ethyl]cyclohexanecarboxamide?
The InChIKey is UQOBANOKBWSXJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23ClN2O3S/c1-23(21,22)19(15-10-6-5-9-14(15)17)12-11-18-16(20)13-7-3-2-4-8-13/h5-6,9-10,13H,2-4,7-8,11-12H2,1H3,(H,18,20).
What are the key properties of N-[2-(2-chloro-N-methylsulfonylanilino)ethyl]cyclohexanecarboxamide?
N-[2-(2-chloro-N-methylsulfonylanilino)ethyl]cyclohexanecarboxamide has a molecular weight of 358.89 g/mol, XLogP of 2.80, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-chloro-N-methylsulfonylanilino)ethyl]cyclohexanecarboxamide is sourced from PubChem (CID 113069805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).