N-[1-(1-methyl-4-piperidin-1-ylsulfonylpyrrole-2-carbonyl)piperidin-4-yl]benzenesulfonamide

C22H30N4O5S2 — CID 55634692

IUPACN-[1-(1-methyl-4-piperidin-1-ylsulfonylpyrrole-2-carbonyl)piperidin-4-yl]benzenesulfonamide
SMILESCn1cc(S(=O)(=O)N2CCCCC2)cc1C(=O)N1CCC(NS(=O)(=O)c2ccccc2)CC1
InChIInChI=1S/C22H30N4O5S2/c1-24-17-20(33(30,31)26-12-6-3-7-13-26)16-21(24)22(27)25-14-10-18(11-15-25)23-32(28,29)19-8-4-2-5-9-19/h2,4-5,8-9,16-18,23H,3,6-7,10-15H2,1H3
InChIKeyMJBMSOOKEKEDTL-UHFFFAOYSA-N
MW494.64 g/mol
LogP1.78
Rot. Bonds6

About N-[1-(1-methyl-4-piperidin-1-ylsulfonylpyrrole-2-carbonyl)piperidin-4-yl]benzenesulfonamide

N-[1-(1-methyl-4-piperidin-1-ylsulfonylpyrrole-2-carbonyl)piperidin-4-yl]benzenesulfonamide (PubChem CID 55634692) has the molecular formula C22H30N4O5S2 and a molecular weight of 494.64 g/mol. Its IUPAC name is N-[1-(1-methyl-4-piperidin-1-ylsulfonylpyrrole-2-carbonyl)piperidin-4-yl]benzenesulfonamide.

Molecular Properties

Compound NameN-[1-(1-methyl-4-piperidin-1-ylsulfonylpyrrole-2-carbonyl)piperidin-4-yl]benzenesulfonamide
PubChem CID55634692
Molecular FormulaC22H30N4O5S2
Molecular Weight494.64 g/mol
Exact Mass494.17
IUPAC NameN-[1-(1-methyl-4-piperidin-1-ylsulfonylpyrrole-2-carbonyl)piperidin-4-yl]benzenesulfonamide
SMILESCn1cc(S(=O)(=O)N2CCCCC2)cc1C(=O)N1CCC(NS(=O)(=O)c2ccccc2)CC1
InChIInChI=1S/C22H30N4O5S2/c1-24-17-20(33(30,31)26-12-6-3-7-13-26)16-21(24)22(27)25-14-10-18(11-15-25)23-32(28,29)19-8-4-2-5-9-19/h2,4-5,8-9,16-18,23H,3,6-7,10-15H2,1H3
InChIKeyMJBMSOOKEKEDTL-UHFFFAOYSA-N
XLogP1.78
TPSA108.79 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500494.64
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[4-(methylaminomethyl)piperidin-1-yl]-(1-methyl-4-piperidin-1-ylsulfonylpyrrol-2-yl)methanone;hydrochloride
CID 119543393
N-(2-methylphenyl)-1-[1-methyl-5-(piperidine-1-carbonyl)pyrrol-3-yl]sulfonylpiperidine-4-carboxamide
CID 53031086
ethyl 1-(1-methyl-4-pyrrolidin-1-ylsulfonylpyrrole-2-carbonyl)piperidine-4-carboxylate
CID 22518965
[4-(3-chloro-2-pyridinyl)piperazin-1-yl]-(1-methyl-4-piperidin-1-ylsulfonylpyrrol-2-yl)methanone
CID 55822066
1-methyl-4-piperidin-1-ylsulfonyl-N-(2-piperidin-1-ylsulfonylphenyl)pyrrole-2-carboxamide
CID 55919434
N-benzyl-1-methyl-4-piperidin-1-ylsulfonylpyrrole-2-carboxamide
CID 46422728
4-[(1-methyl-4-piperidin-1-ylsulfonylpyrrole-2-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 119230351
N-(3-ethylphenyl)-1-[1-methyl-5-(piperidine-1-carbonyl)pyrrol-3-yl]sulfonylpiperidine-4-carboxamide
CID 50822108
1-methyl-4-(4-methylazepan-1-yl)sulfonylpyrrole-2-carboxylic acid
CID 63623741
[4-(adamantane-1-carbonyl)piperazin-1-yl]-(1-methyl-4-pyrrolidin-1-ylsulfonylpyrrol-2-yl)methanone
CID 55474104
4-(azepan-1-ylsulfonyl)-N-cyclohexylbenzenesulfonamide
CID 1167072
1-methyl-4-piperidin-1-ylsulfonyl-N-pyrrolidin-3-ylpyrrole-2-carboxamide
CID 119450319

Frequently Asked Questions

What is the IUPAC name of N-[1-(1-methyl-4-piperidin-1-ylsulfonylpyrrole-2-carbonyl)piperidin-4-yl]benzenesulfonamide?
The IUPAC name of N-[1-(1-methyl-4-piperidin-1-ylsulfonylpyrrole-2-carbonyl)piperidin-4-yl]benzenesulfonamide (CID 55634692) is N-[1-(1-methyl-4-piperidin-1-ylsulfonylpyrrole-2-carbonyl)piperidin-4-yl]benzenesulfonamide.
What is the SMILES notation for N-[1-(1-methyl-4-piperidin-1-ylsulfonylpyrrole-2-carbonyl)piperidin-4-yl]benzenesulfonamide?
The canonical SMILES for N-[1-(1-methyl-4-piperidin-1-ylsulfonylpyrrole-2-carbonyl)piperidin-4-yl]benzenesulfonamide is Cn1cc(S(=O)(=O)N2CCCCC2)cc1C(=O)N1CCC(NS(=O)(=O)c2ccccc2)CC1.
What is the InChIKey of N-[1-(1-methyl-4-piperidin-1-ylsulfonylpyrrole-2-carbonyl)piperidin-4-yl]benzenesulfonamide?
The InChIKey is MJBMSOOKEKEDTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N4O5S2/c1-24-17-20(33(30,31)26-12-6-3-7-13-26)16-21(24)22(27)25-14-10-18(11-15-25)23-32(28,29)19-8-4-2-5-9-19/h2,4-5,8-9,16-18,23H,3,6-7,10-15H2,1H3.
What are the key properties of N-[1-(1-methyl-4-piperidin-1-ylsulfonylpyrrole-2-carbonyl)piperidin-4-yl]benzenesulfonamide?
N-[1-(1-methyl-4-piperidin-1-ylsulfonylpyrrole-2-carbonyl)piperidin-4-yl]benzenesulfonamide has a molecular weight of 494.64 g/mol, XLogP of 1.78, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1-methyl-4-piperidin-1-ylsulfonylpyrrole-2-carbonyl)piperidin-4-yl]benzenesulfonamide is sourced from PubChem (CID 55634692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).