N-(2-chloro-5-sulfamoylphenyl)piperidine-1-sulfonamide

C11H16ClN3O4S2 — CID 61132456

IUPACN-(2-chloro-5-sulfamoylphenyl)piperidine-1-sulfonamide
SMILESNS(=O)(=O)c1ccc(Cl)c(NS(=O)(=O)N2CCCCC2)c1
InChIInChI=1S/C11H16ClN3O4S2/c12-10-5-4-9(20(13,16)17)8-11(10)14-21(18,19)15-6-2-1-3-7-15/h4-5,8,14H,1-3,6-7H2,(H2,13,16,17)
InChIKeyRHMLYKQQTZILFV-UHFFFAOYSA-N
MW353.85 g/mol
LogP1.13
Rot. Bonds4

About N-(2-chloro-5-sulfamoylphenyl)piperidine-1-sulfonamide

N-(2-chloro-5-sulfamoylphenyl)piperidine-1-sulfonamide (PubChem CID 61132456) has the molecular formula C11H16ClN3O4S2 and a molecular weight of 353.85 g/mol. Its IUPAC name is N-(2-chloro-5-sulfamoylphenyl)piperidine-1-sulfonamide.

Molecular Properties

Compound NameN-(2-chloro-5-sulfamoylphenyl)piperidine-1-sulfonamide
PubChem CID61132456
Molecular FormulaC11H16ClN3O4S2
Molecular Weight353.85 g/mol
Exact Mass353.03
IUPAC NameN-(2-chloro-5-sulfamoylphenyl)piperidine-1-sulfonamide
SMILESNS(=O)(=O)c1ccc(Cl)c(NS(=O)(=O)N2CCCCC2)c1
InChIInChI=1S/C11H16ClN3O4S2/c12-10-5-4-9(20(13,16)17)8-11(10)14-21(18,19)15-6-2-1-3-7-15/h4-5,8,14H,1-3,6-7H2,(H2,13,16,17)
InChIKeyRHMLYKQQTZILFV-UHFFFAOYSA-N
XLogP1.13
TPSA109.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.85
LogP ≤ 51.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-methyl-5-sulfamoylphenyl)piperidine-1-sulfonamide
CID 61132651
4-chloro-3-(pyrrolidin-1-ylsulfonylamino)benzoic acid
CID 29280963
methyl 4-chloro-3-(piperidin-1-ylsulfonylamino)benzoate
CID 110705948
4-chloro-3-(chloromethylsulfonylamino)benzenesulfonamide
CID 63666623
4-chloro-3-(cyclohexylamino)benzenesulfonamide
CID 43745858
3-(tert-butylsulfonylamino)-4-chlorobenzenesulfonamide
CID 63687162
N-(2-chloro-5-sulfamoylphenyl)cyclobutanecarboxamide
CID 61131077
2-chloro-5-pyrrolidin-1-ylsulfonylaniline
CID 2963514
2-(azepan-1-yl)-N-(2-chloro-5-piperidin-1-ylsulfonylphenyl)acetamide
CID 4818242
4-(aminomethyl)-N-(2,5-dichlorophenyl)piperidine-1-sulfonamide
CID 106037007
(2R)-N-(2-chloro-5-piperidin-1-ylsulfonylphenyl)-2-pyrrolidin-1-ium-1-ylpropanamide
CID 7858760
(2R)-N-(2-chloro-5-piperidin-1-ylsulfonylphenyl)-2-pyrrolidin-1-ylpropanamide
CID 7858761

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-5-sulfamoylphenyl)piperidine-1-sulfonamide?
The IUPAC name of N-(2-chloro-5-sulfamoylphenyl)piperidine-1-sulfonamide (CID 61132456) is N-(2-chloro-5-sulfamoylphenyl)piperidine-1-sulfonamide.
What is the SMILES notation for N-(2-chloro-5-sulfamoylphenyl)piperidine-1-sulfonamide?
The canonical SMILES for N-(2-chloro-5-sulfamoylphenyl)piperidine-1-sulfonamide is NS(=O)(=O)c1ccc(Cl)c(NS(=O)(=O)N2CCCCC2)c1.
What is the InChIKey of N-(2-chloro-5-sulfamoylphenyl)piperidine-1-sulfonamide?
The InChIKey is RHMLYKQQTZILFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClN3O4S2/c12-10-5-4-9(20(13,16)17)8-11(10)14-21(18,19)15-6-2-1-3-7-15/h4-5,8,14H,1-3,6-7H2,(H2,13,16,17).
What are the key properties of N-(2-chloro-5-sulfamoylphenyl)piperidine-1-sulfonamide?
N-(2-chloro-5-sulfamoylphenyl)piperidine-1-sulfonamide has a molecular weight of 353.85 g/mol, XLogP of 1.13, 4 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)piperidine-1-sulfonamide is sourced from PubChem (CID 61132456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).