N-cyclohexyl-4-(pyrrolidin-1-ylsulfonylmethyl)benzamide

C18H26N2O3S — CID 53285985

IUPACN-cyclohexyl-4-(pyrrolidin-1-ylsulfonylmethyl)benzamide
SMILESO=C(NC1CCCCC1)c1ccc(CS(=O)(=O)N2CCCC2)cc1
InChIInChI=1S/C18H26N2O3S/c21-18(19-17-6-2-1-3-7-17)16-10-8-15(9-11-16)14-24(22,23)20-12-4-5-13-20/h8-11,17H,1-7,12-14H2,(H,19,21)
InChIKeyGUDYZEWMLWKELB-UHFFFAOYSA-N
MW350.48 g/mol
LogP2.67
Rot. Bonds5

About N-cyclohexyl-4-(pyrrolidin-1-ylsulfonylmethyl)benzamide

N-cyclohexyl-4-(pyrrolidin-1-ylsulfonylmethyl)benzamide (PubChem CID 53285985) has the molecular formula C18H26N2O3S and a molecular weight of 350.48 g/mol. Its IUPAC name is N-cyclohexyl-4-(pyrrolidin-1-ylsulfonylmethyl)benzamide.

Molecular Properties

Compound NameN-cyclohexyl-4-(pyrrolidin-1-ylsulfonylmethyl)benzamide
PubChem CID53285985
Molecular FormulaC18H26N2O3S
Molecular Weight350.48 g/mol
Exact Mass350.17
IUPAC NameN-cyclohexyl-4-(pyrrolidin-1-ylsulfonylmethyl)benzamide
SMILESO=C(NC1CCCCC1)c1ccc(CS(=O)(=O)N2CCCC2)cc1
InChIInChI=1S/C18H26N2O3S/c21-18(19-17-6-2-1-3-7-17)16-10-8-15(9-11-16)14-24(22,23)20-12-4-5-13-20/h8-11,17H,1-7,12-14H2,(H,19,21)
InChIKeyGUDYZEWMLWKELB-UHFFFAOYSA-N
XLogP2.67
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.48
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclooctyl-4-(pyrrolidin-1-ylsulfonylmethyl)benzamide
CID 99949383
N-(2-cyclohexylsulfanylethyl)-4-(pyrrolidin-1-ylsulfonylmethyl)benzamide
CID 92676402
4-(piperidin-1-ylsulfonylmethyl)-N-propan-2-ylbenzamide
CID 53286074
4-(piperidin-1-ylsulfonylmethyl)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide
CID 99132083
4-(piperidin-1-ylsulfonylmethyl)-N-(3-pyrrolidin-1-ylpropyl)benzamide
CID 28566921
N-cyclopentyl-4-(hydroxymethyl)benzamide
CID 60636896
N-cyclopropyl-4-(piperidin-1-ylmethyl)benzamide
CID 17407709
N-[(4-piperidin-1-ylphenyl)methyl]-4-(pyrrolidin-1-ylsulfonylmethyl)benzamide
CID 92682536
N-(2-tert-butylsulfanylethyl)-4-(piperidin-1-ylsulfonylmethyl)benzamide
CID 38004690
4-chloro-N-cyclohexyl-3-piperidin-1-ylsulfonylbenzamide
CID 1068470
3-(azepan-1-ylsulfonyl)-4-chloro-N-cyclohexylbenzamide
CID 1216844
N-[(4-fluorophenyl)methyl]-4-(pyrrolidin-1-ylsulfonylmethyl)benzamide
CID 30393897

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-4-(pyrrolidin-1-ylsulfonylmethyl)benzamide?
The IUPAC name of N-cyclohexyl-4-(pyrrolidin-1-ylsulfonylmethyl)benzamide (CID 53285985) is N-cyclohexyl-4-(pyrrolidin-1-ylsulfonylmethyl)benzamide.
What is the SMILES notation for N-cyclohexyl-4-(pyrrolidin-1-ylsulfonylmethyl)benzamide?
The canonical SMILES for N-cyclohexyl-4-(pyrrolidin-1-ylsulfonylmethyl)benzamide is O=C(NC1CCCCC1)c1ccc(CS(=O)(=O)N2CCCC2)cc1.
What is the InChIKey of N-cyclohexyl-4-(pyrrolidin-1-ylsulfonylmethyl)benzamide?
The InChIKey is GUDYZEWMLWKELB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O3S/c21-18(19-17-6-2-1-3-7-17)16-10-8-15(9-11-16)14-24(22,23)20-12-4-5-13-20/h8-11,17H,1-7,12-14H2,(H,19,21).
What are the key properties of N-cyclohexyl-4-(pyrrolidin-1-ylsulfonylmethyl)benzamide?
N-cyclohexyl-4-(pyrrolidin-1-ylsulfonylmethyl)benzamide has a molecular weight of 350.48 g/mol, XLogP of 2.67, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-4-(pyrrolidin-1-ylsulfonylmethyl)benzamide is sourced from PubChem (CID 53285985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).