N-cyclopropyl-1-(2-methylsulfonyl-4-sulfamoylphenyl)piperidine-3-carboxamide

C16H23N3O5S2 — CID 56578586

IUPACN-cyclopropyl-1-(2-methylsulfonyl-4-sulfamoylphenyl)piperidine-3-carboxamide
SMILESCS(=O)(=O)c1cc(S(N)(=O)=O)ccc1N1CCCC(C(=O)NC2CC2)C1
InChIInChI=1S/C16H23N3O5S2/c1-25(21,22)15-9-13(26(17,23)24)6-7-14(15)19-8-2-3-11(10-19)16(20)18-12-4-5-12/h6-7,9,11-12H,2-5,8,10H2,1H3,(H,18,20)(H2,17,23,24)
InChIKeyWNQLIWOCFFOXSS-UHFFFAOYSA-N
MW401.51 g/mol
LogP0.23
Rot. Bonds5

About N-cyclopropyl-1-(2-methylsulfonyl-4-sulfamoylphenyl)piperidine-3-carboxamide

N-cyclopropyl-1-(2-methylsulfonyl-4-sulfamoylphenyl)piperidine-3-carboxamide (PubChem CID 56578586) has the molecular formula C16H23N3O5S2 and a molecular weight of 401.51 g/mol. Its IUPAC name is N-cyclopropyl-1-(2-methylsulfonyl-4-sulfamoylphenyl)piperidine-3-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-1-(2-methylsulfonyl-4-sulfamoylphenyl)piperidine-3-carboxamide
PubChem CID56578586
Molecular FormulaC16H23N3O5S2
Molecular Weight401.51 g/mol
Exact Mass401.11
IUPAC NameN-cyclopropyl-1-(2-methylsulfonyl-4-sulfamoylphenyl)piperidine-3-carboxamide
SMILESCS(=O)(=O)c1cc(S(N)(=O)=O)ccc1N1CCCC(C(=O)NC2CC2)C1
InChIInChI=1S/C16H23N3O5S2/c1-25(21,22)15-9-13(26(17,23)24)6-7-14(15)19-8-2-3-11(10-19)16(20)18-12-4-5-12/h6-7,9,11-12H,2-5,8,10H2,1H3,(H,18,20)(H2,17,23,24)
InChIKeyWNQLIWOCFFOXSS-UHFFFAOYSA-N
XLogP0.23
TPSA126.64 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.51
LogP ≤ 50.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[1-[2,4-bis(methylsulfonyl)phenyl]piperidin-4-yl]cyclopropanecarboxamide
CID 47058432
N-cyclopropyl-1-(4-methyl-7-methylsulfonylquinazolin-2-yl)piperidine-3-carboxamide
CID 118754402
1-[2,4-bis(methylsulfonyl)phenyl]piperidin-3-ol
CID 47015654
5-methyl-N-[1-(2-methylsulfonyl-4-sulfamoylphenyl)piperidin-4-yl]furan-2-carboxamide
CID 56578618
1-(2-amino-4-methylsulfonylphenyl)-N-methylpiperidine-3-carboxamide
CID 103194330
1-[2,4-bis(methylsulfonyl)phenyl]-3-methylpiperidine
CID 17408554
N-[1-(2-cyano-4-sulfamoylphenyl)piperidin-3-yl]-2-methylpropanamide
CID 133354622
N-methyl-1-(4-methylsulfonylphenyl)piperidine-3-carboxamide
CID 166604954
3-methylsulfonyl-4-[4-(morpholine-4-carbonyl)piperazin-1-yl]benzenesulfonamide
CID 56563902
1-[2,4-bis(methylsulfonyl)phenyl]-4-methylazepane
CID 56800063
1-[1-(2-methylsulfonylphenyl)piperidin-3-yl]ethanone
CID 63845141
(3R)-1-(4-bromophenyl)sulfonyl-N-cyclopropylpiperidine-3-carboxamide
CID 41302436

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-1-(2-methylsulfonyl-4-sulfamoylphenyl)piperidine-3-carboxamide?
The IUPAC name of N-cyclopropyl-1-(2-methylsulfonyl-4-sulfamoylphenyl)piperidine-3-carboxamide (CID 56578586) is N-cyclopropyl-1-(2-methylsulfonyl-4-sulfamoylphenyl)piperidine-3-carboxamide.
What is the SMILES notation for N-cyclopropyl-1-(2-methylsulfonyl-4-sulfamoylphenyl)piperidine-3-carboxamide?
The canonical SMILES for N-cyclopropyl-1-(2-methylsulfonyl-4-sulfamoylphenyl)piperidine-3-carboxamide is CS(=O)(=O)c1cc(S(N)(=O)=O)ccc1N1CCCC(C(=O)NC2CC2)C1.
What is the InChIKey of N-cyclopropyl-1-(2-methylsulfonyl-4-sulfamoylphenyl)piperidine-3-carboxamide?
The InChIKey is WNQLIWOCFFOXSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O5S2/c1-25(21,22)15-9-13(26(17,23)24)6-7-14(15)19-8-2-3-11(10-19)16(20)18-12-4-5-12/h6-7,9,11-12H,2-5,8,10H2,1H3,(H,18,20)(H2,17,23,24).
What are the key properties of N-cyclopropyl-1-(2-methylsulfonyl-4-sulfamoylphenyl)piperidine-3-carboxamide?
N-cyclopropyl-1-(2-methylsulfonyl-4-sulfamoylphenyl)piperidine-3-carboxamide has a molecular weight of 401.51 g/mol, XLogP of 0.23, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-1-(2-methylsulfonyl-4-sulfamoylphenyl)piperidine-3-carboxamide is sourced from PubChem (CID 56578586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).