1-[4-(2-chlorophenyl)-1-(4-methylpiperidin-1-yl)-1-oxobutan-2-yl]indole-4-sulfonamide

C24H28ClN3O3S — CID 90329296

IUPAC1-[4-(2-chlorophenyl)-1-(4-methylpiperidin-1-yl)-1-oxobutan-2-yl]indole-4-sulfonamide
SMILESCC1CCN(C(=O)C(CCc2ccccc2Cl)n2ccc3c(S(N)(=O)=O)cccc32)CC1
InChIInChI=1S/C24H28ClN3O3S/c1-17-11-14-27(15-12-17)24(29)22(10-9-18-5-2-3-6-20(18)25)28-16-13-19-21(28)7-4-8-23(19)32(26,30)31/h2-8,13,16-17,22H,9-12,14-15H2,1H3,(H2,26,30,31)
InChIKeyDUBJWHLJJYYVDY-UHFFFAOYSA-N
MW474.03 g/mol
LogP4.37
Rot. Bonds6

About 1-[4-(2-chlorophenyl)-1-(4-methylpiperidin-1-yl)-1-oxobutan-2-yl]indole-4-sulfonamide

1-[4-(2-chlorophenyl)-1-(4-methylpiperidin-1-yl)-1-oxobutan-2-yl]indole-4-sulfonamide (PubChem CID 90329296) has the molecular formula C24H28ClN3O3S and a molecular weight of 474.03 g/mol. Its IUPAC name is 1-[4-(2-chlorophenyl)-1-(4-methylpiperidin-1-yl)-1-oxobutan-2-yl]indole-4-sulfonamide.

Molecular Properties

Compound Name1-[4-(2-chlorophenyl)-1-(4-methylpiperidin-1-yl)-1-oxobutan-2-yl]indole-4-sulfonamide
PubChem CID90329296
Molecular FormulaC24H28ClN3O3S
Molecular Weight474.03 g/mol
Exact Mass473.15
IUPAC Name1-[4-(2-chlorophenyl)-1-(4-methylpiperidin-1-yl)-1-oxobutan-2-yl]indole-4-sulfonamide
SMILESCC1CCN(C(=O)C(CCc2ccccc2Cl)n2ccc3c(S(N)(=O)=O)cccc32)CC1
InChIInChI=1S/C24H28ClN3O3S/c1-17-11-14-27(15-12-17)24(29)22(10-9-18-5-2-3-6-20(18)25)28-16-13-19-21(28)7-4-8-23(19)32(26,30)31/h2-8,13,16-17,22H,9-12,14-15H2,1H3,(H2,26,30,31)
InChIKeyDUBJWHLJJYYVDY-UHFFFAOYSA-N
XLogP4.37
TPSA85.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.03
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-4-(2-chlorophenyl)-1-(4-methylpiperidin-1-yl)butan-1-one;ethane
CID 143898395
2-amino-4-(2-chlorophenyl)-1-(4-methylpiperidin-1-yl)butan-1-one;hydrochloride
CID 66997528
4-(2-chlorophenyl)-2-(3-chlorophenyl)-1-(4-methylpiperidin-1-yl)butan-1-one;thiohydroxylamine
CID 143898293
1-[4-(4-methylpiperidin-1-yl)-4-oxo-3-(4-sulfanylindol-1-yl)butyl]pyrrole-2-carbonitrile
CID 66884791
N-[4-(2-chlorophenyl)-1-(4-methylpiperidin-1-yl)-1-oxobutan-2-yl]-1-benzothiophene-3-sulfonamide
CID 58504935
N-[4-(2-chlorophenyl)-1-(4-methylpiperidin-1-yl)-1-oxobutan-2-yl]-2-methoxy-5-methylbenzenesulfonamide
CID 44516302
2-(2-chlorophenyl)-N-[4-(3-methylpyrrolidine-1-carbonyl)-3-sulfamoylphenyl]acetamide
CID 134588175
(3E,5Z)-7-chloro-N-[4-(2-chlorophenyl)-1-(4-methylpiperidin-1-yl)-1-oxobutan-2-yl]octa-3,5,7-triene-3-sulfonamide
CID 90334792
3-chloro-2-(4-methylpiperidine-1-carbonyl)benzenesulfonyl chloride
CID 63660557
3-[4-(2-cyanopyrrol-1-yl)-1-(4-methylpiperidin-1-yl)-1-oxobutan-2-yl]-2-(trifluoromethyl)benzenesulfonamide
CID 87197391
3-(2-chlorophenyl)-1-[4-(4-methylpiperidine-1-carbonyl)piperidin-1-yl]propan-1-one
CID 47067210
1-[4-(2-chlorophenyl)-2-(1H-indol-4-ylsulfonylamino)butanoyl]piperidine-4-carboxylic acid
CID 123914930

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-chlorophenyl)-1-(4-methylpiperidin-1-yl)-1-oxobutan-2-yl]indole-4-sulfonamide?
The IUPAC name of 1-[4-(2-chlorophenyl)-1-(4-methylpiperidin-1-yl)-1-oxobutan-2-yl]indole-4-sulfonamide (CID 90329296) is 1-[4-(2-chlorophenyl)-1-(4-methylpiperidin-1-yl)-1-oxobutan-2-yl]indole-4-sulfonamide.
What is the SMILES notation for 1-[4-(2-chlorophenyl)-1-(4-methylpiperidin-1-yl)-1-oxobutan-2-yl]indole-4-sulfonamide?
The canonical SMILES for 1-[4-(2-chlorophenyl)-1-(4-methylpiperidin-1-yl)-1-oxobutan-2-yl]indole-4-sulfonamide is CC1CCN(C(=O)C(CCc2ccccc2Cl)n2ccc3c(S(N)(=O)=O)cccc32)CC1.
What is the InChIKey of 1-[4-(2-chlorophenyl)-1-(4-methylpiperidin-1-yl)-1-oxobutan-2-yl]indole-4-sulfonamide?
The InChIKey is DUBJWHLJJYYVDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28ClN3O3S/c1-17-11-14-27(15-12-17)24(29)22(10-9-18-5-2-3-6-20(18)25)28-16-13-19-21(28)7-4-8-23(19)32(26,30)31/h2-8,13,16-17,22H,9-12,14-15H2,1H3,(H2,26,30,31).
What are the key properties of 1-[4-(2-chlorophenyl)-1-(4-methylpiperidin-1-yl)-1-oxobutan-2-yl]indole-4-sulfonamide?
1-[4-(2-chlorophenyl)-1-(4-methylpiperidin-1-yl)-1-oxobutan-2-yl]indole-4-sulfonamide has a molecular weight of 474.03 g/mol, XLogP of 4.37, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-chlorophenyl)-1-(4-methylpiperidin-1-yl)-1-oxobutan-2-yl]indole-4-sulfonamide is sourced from PubChem (CID 90329296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).