N-(2-chloro-5-sulfamoylphenyl)-3-propoxypiperidine-1-carboxamide

C15H22ClN3O4S — CID 72941296

IUPACN-(2-chloro-5-sulfamoylphenyl)-3-propoxypiperidine-1-carboxamide
SMILESCCCOC1CCCN(C(=O)Nc2cc(S(N)(=O)=O)ccc2Cl)C1
InChIInChI=1S/C15H22ClN3O4S/c1-2-8-23-11-4-3-7-19(10-11)15(20)18-14-9-12(24(17,21)22)5-6-13(14)16/h5-6,9,11H,2-4,7-8,10H2,1H3,(H,18,20)(H2,17,21,22)
InChIKeyGUNLWAOEDXTIEO-UHFFFAOYSA-N
MW375.88 g/mol
LogP2.41
Rot. Bonds5

About N-(2-chloro-5-sulfamoylphenyl)-3-propoxypiperidine-1-carboxamide

N-(2-chloro-5-sulfamoylphenyl)-3-propoxypiperidine-1-carboxamide (PubChem CID 72941296) has the molecular formula C15H22ClN3O4S and a molecular weight of 375.88 g/mol. Its IUPAC name is N-(2-chloro-5-sulfamoylphenyl)-3-propoxypiperidine-1-carboxamide.

Molecular Properties

Compound NameN-(2-chloro-5-sulfamoylphenyl)-3-propoxypiperidine-1-carboxamide
PubChem CID72941296
Molecular FormulaC15H22ClN3O4S
Molecular Weight375.88 g/mol
Exact Mass375.10
IUPAC NameN-(2-chloro-5-sulfamoylphenyl)-3-propoxypiperidine-1-carboxamide
SMILESCCCOC1CCCN(C(=O)Nc2cc(S(N)(=O)=O)ccc2Cl)C1
InChIInChI=1S/C15H22ClN3O4S/c1-2-8-23-11-4-3-7-19(10-11)15(20)18-14-9-12(24(17,21)22)5-6-13(14)16/h5-6,9,11H,2-4,7-8,10H2,1H3,(H,18,20)(H2,17,21,22)
InChIKeyGUNLWAOEDXTIEO-UHFFFAOYSA-N
XLogP2.41
TPSA101.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.88
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(3S)-3-methoxy-N-(2-methyl-5-sulfamoylphenyl)piperidine-1-carboxamide
CID 125176909
methyl 3-methyl-4-[[(3R)-3-propoxypiperidine-1-carbonyl]amino]benzoate
CID 95198757
N-(1,3-diethyl-6-methyl-2-oxobenzimidazol-5-yl)-3-propoxypiperidine-1-carboxamide
CID 72902872
N-ethyl-3-propoxypiperidine-1-carboxamide
CID 115595374
N-(2-chloro-5-sulfamoylphenyl)-4-methyl-3,6-dihydro-2H-pyridine-1-carboxamide
CID 72858954
(4-chlorophenyl)-(3-propoxypiperidin-1-yl)methanone
CID 46029094
N-(2-chloro-5-sulfamoylphenyl)propanamide
CID 61130694
(2-amino-4-chlorophenyl)-(3-propoxypiperidin-1-yl)methanone
CID 61170144
N-(2-chloro-5-sulfamoylphenyl)cyclobutanecarboxamide
CID 61131077
(2S)-2-amino-N-(2-chloro-5-sulfamoylphenyl)pentanamide
CID 107568676
(3,5-diaminophenyl)-(3-propoxypiperidin-1-yl)methanone
CID 61168973
(3S)-N-[4-(morpholin-4-ylmethyl)phenyl]-3-propoxypiperidine-1-carboxamide
CID 97443914

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-5-sulfamoylphenyl)-3-propoxypiperidine-1-carboxamide?
The IUPAC name of N-(2-chloro-5-sulfamoylphenyl)-3-propoxypiperidine-1-carboxamide (CID 72941296) is N-(2-chloro-5-sulfamoylphenyl)-3-propoxypiperidine-1-carboxamide.
What is the SMILES notation for N-(2-chloro-5-sulfamoylphenyl)-3-propoxypiperidine-1-carboxamide?
The canonical SMILES for N-(2-chloro-5-sulfamoylphenyl)-3-propoxypiperidine-1-carboxamide is CCCOC1CCCN(C(=O)Nc2cc(S(N)(=O)=O)ccc2Cl)C1.
What is the InChIKey of N-(2-chloro-5-sulfamoylphenyl)-3-propoxypiperidine-1-carboxamide?
The InChIKey is GUNLWAOEDXTIEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClN3O4S/c1-2-8-23-11-4-3-7-19(10-11)15(20)18-14-9-12(24(17,21)22)5-6-13(14)16/h5-6,9,11H,2-4,7-8,10H2,1H3,(H,18,20)(H2,17,21,22).
What are the key properties of N-(2-chloro-5-sulfamoylphenyl)-3-propoxypiperidine-1-carboxamide?
N-(2-chloro-5-sulfamoylphenyl)-3-propoxypiperidine-1-carboxamide has a molecular weight of 375.88 g/mol, XLogP of 2.41, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-5-sulfamoylphenyl)-3-propoxypiperidine-1-carboxamide is sourced from PubChem (CID 72941296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).