2-chloro-4-methyl-N-[4-(3-methylpiperidin-1-yl)sulfonylphenyl]benzenesulfonamide

C19H23ClN2O4S2 — CID 24629185

IUPAC2-chloro-4-methyl-N-[4-(3-methylpiperidin-1-yl)sulfonylphenyl]benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2ccc(S(=O)(=O)N3CCCC(C)C3)cc2)c(Cl)c1
InChIInChI=1S/C19H23ClN2O4S2/c1-14-5-10-19(18(20)12-14)27(23,24)21-16-6-8-17(9-7-16)28(25,26)22-11-3-4-15(2)13-22/h5-10,12,15,21H,3-4,11,13H2,1-2H3
InChIKeyYFJXSQNISGKOCV-UHFFFAOYSA-N
MW442.99 g/mol
LogP3.87
Rot. Bonds5

About 2-chloro-4-methyl-N-[4-(3-methylpiperidin-1-yl)sulfonylphenyl]benzenesulfonamide

2-chloro-4-methyl-N-[4-(3-methylpiperidin-1-yl)sulfonylphenyl]benzenesulfonamide (PubChem CID 24629185) has the molecular formula C19H23ClN2O4S2 and a molecular weight of 442.99 g/mol. Its IUPAC name is 2-chloro-4-methyl-N-[4-(3-methylpiperidin-1-yl)sulfonylphenyl]benzenesulfonamide.

Molecular Properties

Compound Name2-chloro-4-methyl-N-[4-(3-methylpiperidin-1-yl)sulfonylphenyl]benzenesulfonamide
PubChem CID24629185
Molecular FormulaC19H23ClN2O4S2
Molecular Weight442.99 g/mol
Exact Mass442.08
IUPAC Name2-chloro-4-methyl-N-[4-(3-methylpiperidin-1-yl)sulfonylphenyl]benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2ccc(S(=O)(=O)N3CCCC(C)C3)cc2)c(Cl)c1
InChIInChI=1S/C19H23ClN2O4S2/c1-14-5-10-19(18(20)12-14)27(23,24)21-16-6-8-17(9-7-16)28(25,26)22-11-3-4-15(2)13-22/h5-10,12,15,21H,3-4,11,13H2,1-2H3
InChIKeyYFJXSQNISGKOCV-UHFFFAOYSA-N
XLogP3.87
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.99
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3S)-3-methyl-1-(4-methylphenyl)sulfonylpiperidine
CID 668967
4-fluoro-N-[4-[(3S)-3-methylpiperidin-1-yl]sulfonylphenyl]benzenesulfonamide
CID 7343180
1-ethyl-3-methyl-N-[4-[(3R)-3-methylpiperidin-1-yl]sulfonylphenyl]pyrazole-4-sulfonamide
CID 27526282
(3S)-1-(4-chlorophenyl)sulfonyl-3-methylpiperidine
CID 710396
1-[4-(3-methylpiperidin-1-yl)sulfonylphenyl]sulfonylazepane
CID 3184670
1-(4-chlorophenyl)-N-[4-(3-methylpiperidin-1-yl)sulfonylphenyl]methanesulfonamide
CID 17312255
2-chloro-N-[4-[(4-fluorophenyl)sulfonylamino]phenyl]-4-methylbenzenesulfonamide
CID 24629200
(3R)-1-(2,4-dichlorophenyl)sulfonyl-3-methylpiperidine
CID 27210471
N-[3-chloro-4-(3-methylpiperidin-1-yl)phenyl]-4-methylbenzenesulfonamide
CID 169370719
1-(4-methylphenyl)-2-[4-(3-methylpiperidin-1-yl)sulfonylanilino]ethanone
CID 110825912
N-[4-[(3R)-3-methylpiperidin-1-yl]sulfonylphenyl]acetamide
CID 743584
N-[4-[(3S)-3-methylpiperidin-1-yl]sulfonylphenyl]acetamide
CID 743581

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-methyl-N-[4-(3-methylpiperidin-1-yl)sulfonylphenyl]benzenesulfonamide?
The IUPAC name of 2-chloro-4-methyl-N-[4-(3-methylpiperidin-1-yl)sulfonylphenyl]benzenesulfonamide (CID 24629185) is 2-chloro-4-methyl-N-[4-(3-methylpiperidin-1-yl)sulfonylphenyl]benzenesulfonamide.
What is the SMILES notation for 2-chloro-4-methyl-N-[4-(3-methylpiperidin-1-yl)sulfonylphenyl]benzenesulfonamide?
The canonical SMILES for 2-chloro-4-methyl-N-[4-(3-methylpiperidin-1-yl)sulfonylphenyl]benzenesulfonamide is Cc1ccc(S(=O)(=O)Nc2ccc(S(=O)(=O)N3CCCC(C)C3)cc2)c(Cl)c1.
What is the InChIKey of 2-chloro-4-methyl-N-[4-(3-methylpiperidin-1-yl)sulfonylphenyl]benzenesulfonamide?
The InChIKey is YFJXSQNISGKOCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23ClN2O4S2/c1-14-5-10-19(18(20)12-14)27(23,24)21-16-6-8-17(9-7-16)28(25,26)22-11-3-4-15(2)13-22/h5-10,12,15,21H,3-4,11,13H2,1-2H3.
What are the key properties of 2-chloro-4-methyl-N-[4-(3-methylpiperidin-1-yl)sulfonylphenyl]benzenesulfonamide?
2-chloro-4-methyl-N-[4-(3-methylpiperidin-1-yl)sulfonylphenyl]benzenesulfonamide has a molecular weight of 442.99 g/mol, XLogP of 3.87, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-methyl-N-[4-(3-methylpiperidin-1-yl)sulfonylphenyl]benzenesulfonamide is sourced from PubChem (CID 24629185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).