N-cycloheptyl-3-(3-methylmorpholin-4-yl)sulfonylbenzamide

C19H28N2O4S — CID 110343559

IUPACN-cycloheptyl-3-(3-methylmorpholin-4-yl)sulfonylbenzamide
SMILESCC1COCCN1S(=O)(=O)c1cccc(C(=O)NC2CCCCCC2)c1
InChIInChI=1S/C19H28N2O4S/c1-15-14-25-12-11-21(15)26(23,24)18-10-6-7-16(13-18)19(22)20-17-8-4-2-3-5-9-17/h6-7,10,13,15,17H,2-5,8-9,11-12,14H2,1H3,(H,20,22)
InChIKeyOBYZOPDISOVHLQ-UHFFFAOYSA-N
MW380.51 g/mol
LogP2.55
Rot. Bonds4

About N-cycloheptyl-3-(3-methylmorpholin-4-yl)sulfonylbenzamide

N-cycloheptyl-3-(3-methylmorpholin-4-yl)sulfonylbenzamide (PubChem CID 110343559) has the molecular formula C19H28N2O4S and a molecular weight of 380.51 g/mol. Its IUPAC name is N-cycloheptyl-3-(3-methylmorpholin-4-yl)sulfonylbenzamide.

Molecular Properties

Compound NameN-cycloheptyl-3-(3-methylmorpholin-4-yl)sulfonylbenzamide
PubChem CID110343559
Molecular FormulaC19H28N2O4S
Molecular Weight380.51 g/mol
Exact Mass380.18
IUPAC NameN-cycloheptyl-3-(3-methylmorpholin-4-yl)sulfonylbenzamide
SMILESCC1COCCN1S(=O)(=O)c1cccc(C(=O)NC2CCCCCC2)c1
InChIInChI=1S/C19H28N2O4S/c1-15-14-25-12-11-21(15)26(23,24)18-10-6-7-16(13-18)19(22)20-17-8-4-2-3-5-9-17/h6-7,10,13,15,17H,2-5,8-9,11-12,14H2,1H3,(H,20,22)
InChIKeyOBYZOPDISOVHLQ-UHFFFAOYSA-N
XLogP2.55
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.51
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 110343683
3-(3-methylmorpholin-4-yl)sulfonyl-N-propan-2-ylbenzamide
CID 110343522
N-cyclopropyl-3-[(2R)-2-methylpiperidin-1-yl]sulfonylbenzamide
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N-(4-hydroxycyclohexyl)-3-(2-methylpiperidin-1-yl)sulfonylbenzamide
CID 78767659
N-(4-methylcyclohexyl)-3-morpholin-4-ylsulfonylbenzamide
CID 4546258
3-(azocan-1-ylsulfonyl)-N-[(3S)-oxolan-3-yl]benzamide
CID 97202366
N-[(4-fluorophenyl)methyl]-3-(3-methylmorpholin-4-yl)sulfonylbenzamide
CID 110343552
N-cyclobutyl-3-[[(2R)-2-methyl-5-oxo-1,4-diazepan-1-yl]sulfonyl]benzamide
CID 97198443
N-cycloheptyl-3-(3-methylpiperidin-1-yl)sulfonylbenzamide
CID 109065250
4-methyl-N-[3-(3-methylmorpholin-4-yl)sulfonylphenyl]benzamide
CID 110352466
1-[3-(3-methylmorpholin-4-yl)sulfonylphenyl]-3-phenylurea
CID 110352480
3-(cyclohexylsulfamoyl)-N-cyclopentylbenzamide
CID 109063195

Frequently Asked Questions

What is the IUPAC name of N-cycloheptyl-3-(3-methylmorpholin-4-yl)sulfonylbenzamide?
The IUPAC name of N-cycloheptyl-3-(3-methylmorpholin-4-yl)sulfonylbenzamide (CID 110343559) is N-cycloheptyl-3-(3-methylmorpholin-4-yl)sulfonylbenzamide.
What is the SMILES notation for N-cycloheptyl-3-(3-methylmorpholin-4-yl)sulfonylbenzamide?
The canonical SMILES for N-cycloheptyl-3-(3-methylmorpholin-4-yl)sulfonylbenzamide is CC1COCCN1S(=O)(=O)c1cccc(C(=O)NC2CCCCCC2)c1.
What is the InChIKey of N-cycloheptyl-3-(3-methylmorpholin-4-yl)sulfonylbenzamide?
The InChIKey is OBYZOPDISOVHLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O4S/c1-15-14-25-12-11-21(15)26(23,24)18-10-6-7-16(13-18)19(22)20-17-8-4-2-3-5-9-17/h6-7,10,13,15,17H,2-5,8-9,11-12,14H2,1H3,(H,20,22).
What are the key properties of N-cycloheptyl-3-(3-methylmorpholin-4-yl)sulfonylbenzamide?
N-cycloheptyl-3-(3-methylmorpholin-4-yl)sulfonylbenzamide has a molecular weight of 380.51 g/mol, XLogP of 2.55, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cycloheptyl-3-(3-methylmorpholin-4-yl)sulfonylbenzamide is sourced from PubChem (CID 110343559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).