2-chloro-N-(4-hydroxycyclohexyl)-5-pyrrolidin-1-ylsulfonylbenzamide

C17H23ClN2O4S — CID 78767649

IUPAC2-chloro-N-(4-hydroxycyclohexyl)-5-pyrrolidin-1-ylsulfonylbenzamide
SMILESO=C(NC1CCC(O)CC1)c1cc(S(=O)(=O)N2CCCC2)ccc1Cl
InChIInChI=1S/C17H23ClN2O4S/c18-16-8-7-14(25(23,24)20-9-1-2-10-20)11-15(16)17(22)19-12-3-5-13(21)6-4-12/h7-8,11-13,21H,1-6,9-10H2,(H,19,22)
InChIKeyLYBLUBWCXYWLGF-UHFFFAOYSA-N
MW386.90 g/mol
LogP2.16
Rot. Bonds4

About 2-chloro-N-(4-hydroxycyclohexyl)-5-pyrrolidin-1-ylsulfonylbenzamide

2-chloro-N-(4-hydroxycyclohexyl)-5-pyrrolidin-1-ylsulfonylbenzamide (PubChem CID 78767649) has the molecular formula C17H23ClN2O4S and a molecular weight of 386.90 g/mol. Its IUPAC name is 2-chloro-N-(4-hydroxycyclohexyl)-5-pyrrolidin-1-ylsulfonylbenzamide.

Molecular Properties

Compound Name2-chloro-N-(4-hydroxycyclohexyl)-5-pyrrolidin-1-ylsulfonylbenzamide
PubChem CID78767649
Molecular FormulaC17H23ClN2O4S
Molecular Weight386.90 g/mol
Exact Mass386.11
IUPAC Name2-chloro-N-(4-hydroxycyclohexyl)-5-pyrrolidin-1-ylsulfonylbenzamide
SMILESO=C(NC1CCC(O)CC1)c1cc(S(=O)(=O)N2CCCC2)ccc1Cl
InChIInChI=1S/C17H23ClN2O4S/c18-16-8-7-14(25(23,24)20-9-1-2-10-20)11-15(16)17(22)19-12-3-5-13(21)6-4-12/h7-8,11-13,21H,1-6,9-10H2,(H,19,22)
InChIKeyLYBLUBWCXYWLGF-UHFFFAOYSA-N
XLogP2.16
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.90
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-(azepan-1-ylsulfonyl)-2-chloro-N-cyclopentylbenzamide
CID 46387464
2-chloro-N-cyclohexyl-5-(4-methylpiperidin-1-yl)sulfonylbenzamide
CID 28591311
2-chloro-5-(4-methylpiperazin-1-yl)sulfonyl-N-(1-methylpiperidin-4-yl)benzamide
CID 56699203
N-cyclopentyl-2-fluoro-5-piperidin-1-ylsulfonylbenzamide
CID 27261803
(2-chloro-5-piperidin-1-ylsulfonylphenyl)-(4-hydroxypiperidin-1-yl)methanone
CID 78802539
2-chloro-N-(1-methylpiperidin-4-yl)-5-morpholin-4-ylsulfonylbenzamide
CID 50946940
2-chloro-N-(2,3-dimethylcyclohexyl)-5-piperidin-1-ylsulfonylbenzamide
CID 25162143
N-cyclooctyl-2-methoxy-5-pyrrolidin-1-ylsulfonylbenzamide
CID 28590964
4-chloro-3-(cyclopentylcarbamoyl)benzenesulfonyl chloride
CID 65368103
cis-(1R,3S)-3-[(2-methyl-5-piperidin-1-ylsulfonylbenzoyl)amino]cyclopentane-1-carboxylic acid
CID 120677581
2-chloro-N-[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]-5-pyrrolidin-1-ylsulfonylbenzamide
CID 55945452
N-cyclopropyl-2-methyl-5-(4-methylpiperidin-1-yl)sulfonylbenzamide
CID 28590479

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(4-hydroxycyclohexyl)-5-pyrrolidin-1-ylsulfonylbenzamide?
The IUPAC name of 2-chloro-N-(4-hydroxycyclohexyl)-5-pyrrolidin-1-ylsulfonylbenzamide (CID 78767649) is 2-chloro-N-(4-hydroxycyclohexyl)-5-pyrrolidin-1-ylsulfonylbenzamide.
What is the SMILES notation for 2-chloro-N-(4-hydroxycyclohexyl)-5-pyrrolidin-1-ylsulfonylbenzamide?
The canonical SMILES for 2-chloro-N-(4-hydroxycyclohexyl)-5-pyrrolidin-1-ylsulfonylbenzamide is O=C(NC1CCC(O)CC1)c1cc(S(=O)(=O)N2CCCC2)ccc1Cl.
What is the InChIKey of 2-chloro-N-(4-hydroxycyclohexyl)-5-pyrrolidin-1-ylsulfonylbenzamide?
The InChIKey is LYBLUBWCXYWLGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23ClN2O4S/c18-16-8-7-14(25(23,24)20-9-1-2-10-20)11-15(16)17(22)19-12-3-5-13(21)6-4-12/h7-8,11-13,21H,1-6,9-10H2,(H,19,22).
What are the key properties of 2-chloro-N-(4-hydroxycyclohexyl)-5-pyrrolidin-1-ylsulfonylbenzamide?
2-chloro-N-(4-hydroxycyclohexyl)-5-pyrrolidin-1-ylsulfonylbenzamide has a molecular weight of 386.90 g/mol, XLogP of 2.16, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(4-hydroxycyclohexyl)-5-pyrrolidin-1-ylsulfonylbenzamide is sourced from PubChem (CID 78767649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).