1-(4-chlorophenyl)-N-[4-(3-methylpiperidin-1-yl)sulfonylphenyl]methanesulfonamide

C19H23ClN2O4S2 — CID 17312255

IUPAC1-(4-chlorophenyl)-N-[4-(3-methylpiperidin-1-yl)sulfonylphenyl]methanesulfonamide
SMILESCC1CCCN(S(=O)(=O)c2ccc(NS(=O)(=O)Cc3ccc(Cl)cc3)cc2)C1
InChIInChI=1S/C19H23ClN2O4S2/c1-15-3-2-12-22(13-15)28(25,26)19-10-8-18(9-11-19)21-27(23,24)14-16-4-6-17(20)7-5-16/h4-11,15,21H,2-3,12-14H2,1H3
InChIKeyGKFLQRFOTGMYEF-UHFFFAOYSA-N
MW442.99 g/mol
LogP3.70
Rot. Bonds6

About 1-(4-chlorophenyl)-N-[4-(3-methylpiperidin-1-yl)sulfonylphenyl]methanesulfonamide

1-(4-chlorophenyl)-N-[4-(3-methylpiperidin-1-yl)sulfonylphenyl]methanesulfonamide (PubChem CID 17312255) has the molecular formula C19H23ClN2O4S2 and a molecular weight of 442.99 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-N-[4-(3-methylpiperidin-1-yl)sulfonylphenyl]methanesulfonamide.

Molecular Properties

Compound Name1-(4-chlorophenyl)-N-[4-(3-methylpiperidin-1-yl)sulfonylphenyl]methanesulfonamide
PubChem CID17312255
Molecular FormulaC19H23ClN2O4S2
Molecular Weight442.99 g/mol
Exact Mass442.08
IUPAC Name1-(4-chlorophenyl)-N-[4-(3-methylpiperidin-1-yl)sulfonylphenyl]methanesulfonamide
SMILESCC1CCCN(S(=O)(=O)c2ccc(NS(=O)(=O)Cc3ccc(Cl)cc3)cc2)C1
InChIInChI=1S/C19H23ClN2O4S2/c1-15-3-2-12-22(13-15)28(25,26)19-10-8-18(9-11-19)21-27(23,24)14-16-4-6-17(20)7-5-16/h4-11,15,21H,2-3,12-14H2,1H3
InChIKeyGKFLQRFOTGMYEF-UHFFFAOYSA-N
XLogP3.70
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.99
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3S)-1-(4-chlorophenyl)sulfonyl-3-methylpiperidine
CID 710396
4-fluoro-N-[4-[(3S)-3-methylpiperidin-1-yl]sulfonylphenyl]benzenesulfonamide
CID 7343180
1-[4-(3-methylpiperidin-1-yl)sulfonylphenyl]sulfonylazepane
CID 3184670
N-[4-[(3R)-3-methylpiperidin-1-yl]sulfonylphenyl]acetamide
CID 743584
N-[4-[(3S)-3-methylpiperidin-1-yl]sulfonylphenyl]acetamide
CID 743581
2-chloro-4-methyl-N-[4-(3-methylpiperidin-1-yl)sulfonylphenyl]benzenesulfonamide
CID 24629185
2-(4-methylphenyl)-N-[4-(3-methylpiperidin-1-yl)sulfonylphenyl]acetamide
CID 17312033
(3S)-3-methyl-1-(4-methylphenyl)sulfonylpiperidine
CID 668967
2-(4-fluorophenyl)-N-[4-(3-methylpiperidin-1-yl)sulfonylphenyl]acetamide
CID 17311952
1-(4-chlorophenyl)sulfonyl-N-methylpiperidin-3-amine
CID 62536582
4-[(3S)-3-methylpiperidin-1-yl]sulfonylbenzoic acid
CID 1132674
4-(3-methylpiperidin-1-yl)sulfonylbenzoic acid
CID 2770974

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-N-[4-(3-methylpiperidin-1-yl)sulfonylphenyl]methanesulfonamide?
The IUPAC name of 1-(4-chlorophenyl)-N-[4-(3-methylpiperidin-1-yl)sulfonylphenyl]methanesulfonamide (CID 17312255) is 1-(4-chlorophenyl)-N-[4-(3-methylpiperidin-1-yl)sulfonylphenyl]methanesulfonamide.
What is the SMILES notation for 1-(4-chlorophenyl)-N-[4-(3-methylpiperidin-1-yl)sulfonylphenyl]methanesulfonamide?
The canonical SMILES for 1-(4-chlorophenyl)-N-[4-(3-methylpiperidin-1-yl)sulfonylphenyl]methanesulfonamide is CC1CCCN(S(=O)(=O)c2ccc(NS(=O)(=O)Cc3ccc(Cl)cc3)cc2)C1.
What is the InChIKey of 1-(4-chlorophenyl)-N-[4-(3-methylpiperidin-1-yl)sulfonylphenyl]methanesulfonamide?
The InChIKey is GKFLQRFOTGMYEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23ClN2O4S2/c1-15-3-2-12-22(13-15)28(25,26)19-10-8-18(9-11-19)21-27(23,24)14-16-4-6-17(20)7-5-16/h4-11,15,21H,2-3,12-14H2,1H3.
What are the key properties of 1-(4-chlorophenyl)-N-[4-(3-methylpiperidin-1-yl)sulfonylphenyl]methanesulfonamide?
1-(4-chlorophenyl)-N-[4-(3-methylpiperidin-1-yl)sulfonylphenyl]methanesulfonamide has a molecular weight of 442.99 g/mol, XLogP of 3.70, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-N-[4-(3-methylpiperidin-1-yl)sulfonylphenyl]methanesulfonamide is sourced from PubChem (CID 17312255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).