N-[2-[(2-cyclohexylpropylamino)methyl]phenyl]-2-oxo-1H-quinoline-6-sulfonamide

C25H31N3O3S — CID 91030950

IUPACN-[2-[(2-cyclohexylpropylamino)methyl]phenyl]-2-oxo-1H-quinoline-6-sulfonamide
SMILESCC(CNCc1ccccc1NS(=O)(=O)c1ccc2[nH]c(=O)ccc2c1)C1CCCCC1
InChIInChI=1S/C25H31N3O3S/c1-18(19-7-3-2-4-8-19)16-26-17-21-9-5-6-10-24(21)28-32(30,31)22-12-13-23-20(15-22)11-14-25(29)27-23/h5-6,9-15,18-19,26,28H,2-4,7-8,16-17H2,1H3,(H,27,29)
InChIKeyXFUOJPIDGBYCLV-UHFFFAOYSA-N
MW453.61 g/mol
LogP4.63
Rot. Bonds8

About N-[2-[(2-cyclohexylpropylamino)methyl]phenyl]-2-oxo-1H-quinoline-6-sulfonamide

N-[2-[(2-cyclohexylpropylamino)methyl]phenyl]-2-oxo-1H-quinoline-6-sulfonamide (PubChem CID 91030950) has the molecular formula C25H31N3O3S and a molecular weight of 453.61 g/mol. Its IUPAC name is N-[2-[(2-cyclohexylpropylamino)methyl]phenyl]-2-oxo-1H-quinoline-6-sulfonamide.

Molecular Properties

Compound NameN-[2-[(2-cyclohexylpropylamino)methyl]phenyl]-2-oxo-1H-quinoline-6-sulfonamide
PubChem CID91030950
Molecular FormulaC25H31N3O3S
Molecular Weight453.61 g/mol
Exact Mass453.21
IUPAC NameN-[2-[(2-cyclohexylpropylamino)methyl]phenyl]-2-oxo-1H-quinoline-6-sulfonamide
SMILESCC(CNCc1ccccc1NS(=O)(=O)c1ccc2[nH]c(=O)ccc2c1)C1CCCCC1
InChIInChI=1S/C25H31N3O3S/c1-18(19-7-3-2-4-8-19)16-26-17-21-9-5-6-10-24(21)28-32(30,31)22-12-13-23-20(15-22)11-14-25(29)27-23/h5-6,9-15,18-19,26,28H,2-4,7-8,16-17H2,1H3,(H,27,29)
InChIKeyXFUOJPIDGBYCLV-UHFFFAOYSA-N
XLogP4.63
TPSA91.06 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.61
LogP ≤ 54.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-[(2-cyclohexylpropylamino)methyl]phenyl]-1-methyl-2-oxoquinoline-6-sulfonamide
CID 91155480
N-cycloheptyl-2-oxo-1H-quinoline-6-sulfonamide
CID 22548526
[4-[[2-[(2-cyclohexylpropylamino)methyl]phenyl]sulfamoyl]phenyl] carbamate
CID 69154090
N-[2-[(2-cyclohexylpropylamino)methyl]phenyl]formamide
CID 87716622
N-[2-[(2-cyclohexylpropylamino)methyl]phenyl]-6-(tetrazol-1-yl)pyridine-3-sulfonamide
CID 91195144
N-[4-[[2-[(2-cyclopropylpropylamino)methyl]phenyl]sulfamoyl]phenyl]thiophene-2-sulfonamide
CID 69154834
methyl 2-[(2-oxo-1H-quinolin-6-yl)sulfonylamino]benzoate
CID 126458941
N-[2-(3,3-dimethylbutoxy)phenyl]-2-oxo-1H-quinoline-6-sulfonamide
CID 161158270
N-[2-[(1-cyclohexylpropan-2-ylamino)methyl]phenyl]-2-sulfanylidene-3H-1,3-benzoxazole-6-sulfonamide
CID 68951712
N-[2-[[cyclohexyl(methyl)amino]methyl]phenyl]naphthalene-2-sulfonamide
CID 2470223
N-cyclohexyl-3-[(2-oxo-1H-quinolin-6-yl)sulfonylamino]propanamide
CID 46275014
N-[2-(3,3-dimethylpentoxy)phenyl]-2-oxo-1H-quinoline-6-sulfonamide
CID 166688873

Frequently Asked Questions

What is the IUPAC name of N-[2-[(2-cyclohexylpropylamino)methyl]phenyl]-2-oxo-1H-quinoline-6-sulfonamide?
The IUPAC name of N-[2-[(2-cyclohexylpropylamino)methyl]phenyl]-2-oxo-1H-quinoline-6-sulfonamide (CID 91030950) is N-[2-[(2-cyclohexylpropylamino)methyl]phenyl]-2-oxo-1H-quinoline-6-sulfonamide.
What is the SMILES notation for N-[2-[(2-cyclohexylpropylamino)methyl]phenyl]-2-oxo-1H-quinoline-6-sulfonamide?
The canonical SMILES for N-[2-[(2-cyclohexylpropylamino)methyl]phenyl]-2-oxo-1H-quinoline-6-sulfonamide is CC(CNCc1ccccc1NS(=O)(=O)c1ccc2[nH]c(=O)ccc2c1)C1CCCCC1.
What is the InChIKey of N-[2-[(2-cyclohexylpropylamino)methyl]phenyl]-2-oxo-1H-quinoline-6-sulfonamide?
The InChIKey is XFUOJPIDGBYCLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31N3O3S/c1-18(19-7-3-2-4-8-19)16-26-17-21-9-5-6-10-24(21)28-32(30,31)22-12-13-23-20(15-22)11-14-25(29)27-23/h5-6,9-15,18-19,26,28H,2-4,7-8,16-17H2,1H3,(H,27,29).
What are the key properties of N-[2-[(2-cyclohexylpropylamino)methyl]phenyl]-2-oxo-1H-quinoline-6-sulfonamide?
N-[2-[(2-cyclohexylpropylamino)methyl]phenyl]-2-oxo-1H-quinoline-6-sulfonamide has a molecular weight of 453.61 g/mol, XLogP of 4.63, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2-cyclohexylpropylamino)methyl]phenyl]-2-oxo-1H-quinoline-6-sulfonamide is sourced from PubChem (CID 91030950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).