2,5-dichloro-N-[4-(2-ethylpiperidin-1-yl)sulfonylphenyl]benzenesulfonamide

C19H22Cl2N2O4S2 — CID 17256532

IUPAC2,5-dichloro-N-[4-(2-ethylpiperidin-1-yl)sulfonylphenyl]benzenesulfonamide
SMILESCCC1CCCCN1S(=O)(=O)c1ccc(NS(=O)(=O)c2cc(Cl)ccc2Cl)cc1
InChIInChI=1S/C19H22Cl2N2O4S2/c1-2-16-5-3-4-12-23(16)29(26,27)17-9-7-15(8-10-17)22-28(24,25)19-13-14(20)6-11-18(19)21/h6-11,13,16,22H,2-5,12H2,1H3
InChIKeyGUIDMRIFIQUBQR-UHFFFAOYSA-N
MW477.44 g/mol
LogP4.75
Rot. Bonds6

About 2,5-dichloro-N-[4-(2-ethylpiperidin-1-yl)sulfonylphenyl]benzenesulfonamide

2,5-dichloro-N-[4-(2-ethylpiperidin-1-yl)sulfonylphenyl]benzenesulfonamide (PubChem CID 17256532) has the molecular formula C19H22Cl2N2O4S2 and a molecular weight of 477.44 g/mol. Its IUPAC name is 2,5-dichloro-N-[4-(2-ethylpiperidin-1-yl)sulfonylphenyl]benzenesulfonamide.

Molecular Properties

Compound Name2,5-dichloro-N-[4-(2-ethylpiperidin-1-yl)sulfonylphenyl]benzenesulfonamide
PubChem CID17256532
Molecular FormulaC19H22Cl2N2O4S2
Molecular Weight477.44 g/mol
Exact Mass476.04
IUPAC Name2,5-dichloro-N-[4-(2-ethylpiperidin-1-yl)sulfonylphenyl]benzenesulfonamide
SMILESCCC1CCCCN1S(=O)(=O)c1ccc(NS(=O)(=O)c2cc(Cl)ccc2Cl)cc1
InChIInChI=1S/C19H22Cl2N2O4S2/c1-2-16-5-3-4-12-23(16)29(26,27)17-9-7-15(8-10-17)22-28(24,25)19-13-14(20)6-11-18(19)21/h6-11,13,16,22H,2-5,12H2,1H3
InChIKeyGUIDMRIFIQUBQR-UHFFFAOYSA-N
XLogP4.75
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.44
LogP ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2,4-dichlorophenyl)methyl]-4-(2-ethylpiperidin-1-yl)sulfonylaniline
CID 110826661
2,5-dichloro-N-[4-(2,6-dimethylpiperidin-1-yl)sulfonylphenyl]benzenesulfonamide
CID 19684508
4-chloro-N-[4-[(2R)-2-ethylpiperidin-1-yl]sulfonylphenyl]benzamide
CID 41121275
(2S)-1-(4-chloro-3-methoxyphenyl)sulfonyl-2-ethylpiperidine
CID 7177581
2-chloro-N-[4-[(2S)-2-ethylpiperidin-1-yl]sulfonylphenyl]acetamide
CID 28962638
2-chloro-4-(2-ethylazepan-1-yl)sulfonylaniline
CID 104690556
(2R)-2-chloro-N-[4-[(2S)-2-ethylpiperidin-1-yl]sulfonylphenyl]propanamide
CID 92660341
N-[4-(butan-2-ylsulfamoyl)phenyl]-2,5-dichlorobenzenesulfonamide
CID 2947983
2-(2-chlorophenoxy)-N-[4-(2-ethylpiperidin-1-yl)sulfonylphenyl]acetamide
CID 4090474
4-chloro-3-[(2R)-2-ethylpiperidin-1-yl]sulfonylbenzoic acid
CID 93267676
methyl N-[4-[(2R)-2-ethylpiperidin-1-yl]sulfonylphenyl]carbamate
CID 40635393
1-(3-chlorophenyl)sulfonyl-2-ethylpyrrolidine
CID 110604704

Frequently Asked Questions

What is the IUPAC name of 2,5-dichloro-N-[4-(2-ethylpiperidin-1-yl)sulfonylphenyl]benzenesulfonamide?
The IUPAC name of 2,5-dichloro-N-[4-(2-ethylpiperidin-1-yl)sulfonylphenyl]benzenesulfonamide (CID 17256532) is 2,5-dichloro-N-[4-(2-ethylpiperidin-1-yl)sulfonylphenyl]benzenesulfonamide.
What is the SMILES notation for 2,5-dichloro-N-[4-(2-ethylpiperidin-1-yl)sulfonylphenyl]benzenesulfonamide?
The canonical SMILES for 2,5-dichloro-N-[4-(2-ethylpiperidin-1-yl)sulfonylphenyl]benzenesulfonamide is CCC1CCCCN1S(=O)(=O)c1ccc(NS(=O)(=O)c2cc(Cl)ccc2Cl)cc1.
What is the InChIKey of 2,5-dichloro-N-[4-(2-ethylpiperidin-1-yl)sulfonylphenyl]benzenesulfonamide?
The InChIKey is GUIDMRIFIQUBQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22Cl2N2O4S2/c1-2-16-5-3-4-12-23(16)29(26,27)17-9-7-15(8-10-17)22-28(24,25)19-13-14(20)6-11-18(19)21/h6-11,13,16,22H,2-5,12H2,1H3.
What are the key properties of 2,5-dichloro-N-[4-(2-ethylpiperidin-1-yl)sulfonylphenyl]benzenesulfonamide?
2,5-dichloro-N-[4-(2-ethylpiperidin-1-yl)sulfonylphenyl]benzenesulfonamide has a molecular weight of 477.44 g/mol, XLogP of 4.75, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dichloro-N-[4-(2-ethylpiperidin-1-yl)sulfonylphenyl]benzenesulfonamide is sourced from PubChem (CID 17256532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).