N-(4-chlorophenyl)-3-(methylamino)propane-1-sulfonamide

C10H15ClN2O2S — CID 106060812

IUPACN-(4-chlorophenyl)-3-(methylamino)propane-1-sulfonamide
SMILESCNCCCS(=O)(=O)Nc1ccc(Cl)cc1
InChIInChI=1S/C10H15ClN2O2S/c1-12-7-2-8-16(14,15)13-10-5-3-9(11)4-6-10/h3-6,12-13H,2,7-8H2,1H3
InChIKeyXFFBYYXBYLSDCE-UHFFFAOYSA-N
MW262.76 g/mol
LogP1.69
Rot. Bonds6

About N-(4-chlorophenyl)-3-(methylamino)propane-1-sulfonamide

N-(4-chlorophenyl)-3-(methylamino)propane-1-sulfonamide (PubChem CID 106060812) has the molecular formula C10H15ClN2O2S and a molecular weight of 262.76 g/mol. Its IUPAC name is N-(4-chlorophenyl)-3-(methylamino)propane-1-sulfonamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-3-(methylamino)propane-1-sulfonamide
PubChem CID106060812
Molecular FormulaC10H15ClN2O2S
Molecular Weight262.76 g/mol
Exact Mass262.05
IUPAC NameN-(4-chlorophenyl)-3-(methylamino)propane-1-sulfonamide
SMILESCNCCCS(=O)(=O)Nc1ccc(Cl)cc1
InChIInChI=1S/C10H15ClN2O2S/c1-12-7-2-8-16(14,15)13-10-5-3-9(11)4-6-10/h3-6,12-13H,2,7-8H2,1H3
InChIKeyXFFBYYXBYLSDCE-UHFFFAOYSA-N
XLogP1.69
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.76
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(3,4-dichlorophenyl)-3-(methylamino)propane-1-sulfonamide
CID 106059504
N-(4-methoxyphenyl)-3-(methylamino)propane-1-sulfonamide
CID 114138792
N-(3,5-dichlorophenyl)-4-(methylamino)butane-1-sulfonamide
CID 114141118
N-(4-fluoro-3-methoxyphenyl)-3-(methylamino)propane-1-sulfonamide
CID 106086490
N-(4-chlorophenyl)-2-(propylamino)ethanesulfonamide
CID 114141200
N-(3-bromo-4-chlorophenyl)-4-(methylamino)butane-1-sulfonamide
CID 114141645
N-(4-bromo-3-methylphenyl)-3-(methylamino)propane-1-sulfonamide
CID 106058558
N-(2,6-difluoro-3-methylphenyl)-3-(methylamino)propane-1-sulfonamide
CID 106074571
N-(3-chloro-4-methoxyphenyl)-4-(methylamino)butane-1-sulfonamide
CID 106047989
N-(2,5-difluorophenyl)-3-(methylamino)propane-1-sulfonamide
CID 114141081
N-[3-chloro-5-(trifluoromethyl)phenyl]-4-(methylamino)butane-1-sulfonamide
CID 106083157
N-(2,2-difluoro-1,3-benzodioxol-5-yl)-3-(methylamino)propane-1-sulfonamide
CID 106059443

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-3-(methylamino)propane-1-sulfonamide?
The IUPAC name of N-(4-chlorophenyl)-3-(methylamino)propane-1-sulfonamide (CID 106060812) is N-(4-chlorophenyl)-3-(methylamino)propane-1-sulfonamide.
What is the SMILES notation for N-(4-chlorophenyl)-3-(methylamino)propane-1-sulfonamide?
The canonical SMILES for N-(4-chlorophenyl)-3-(methylamino)propane-1-sulfonamide is CNCCCS(=O)(=O)Nc1ccc(Cl)cc1.
What is the InChIKey of N-(4-chlorophenyl)-3-(methylamino)propane-1-sulfonamide?
The InChIKey is XFFBYYXBYLSDCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15ClN2O2S/c1-12-7-2-8-16(14,15)13-10-5-3-9(11)4-6-10/h3-6,12-13H,2,7-8H2,1H3.
What are the key properties of N-(4-chlorophenyl)-3-(methylamino)propane-1-sulfonamide?
N-(4-chlorophenyl)-3-(methylamino)propane-1-sulfonamide has a molecular weight of 262.76 g/mol, XLogP of 1.69, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-3-(methylamino)propane-1-sulfonamide is sourced from PubChem (CID 106060812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).