3-iodo-N-[3-(methylamino)propyl]benzenesulfonamide;hydrochloride

C10H16ClIN2O2S — CID 119965124

IUPAC3-iodo-N-[3-(methylamino)propyl]benzenesulfonamide;hydrochloride
SMILESCNCCCNS(=O)(=O)c1cccc(I)c1.Cl
InChIInChI=1S/C10H15IN2O2S.ClH/c1-12-6-3-7-13-16(14,15)10-5-2-4-9(11)8-10;/h2,4-5,8,12-13H,3,6-7H2,1H3;1H
InChIKeyLVGCBWCTCDFFHD-UHFFFAOYSA-N
MW390.67 g/mol
LogP1.60
Rot. Bonds6

About 3-iodo-N-[3-(methylamino)propyl]benzenesulfonamide;hydrochloride

3-iodo-N-[3-(methylamino)propyl]benzenesulfonamide;hydrochloride (PubChem CID 119965124) has the molecular formula C10H16ClIN2O2S and a molecular weight of 390.67 g/mol. Its IUPAC name is 3-iodo-N-[3-(methylamino)propyl]benzenesulfonamide;hydrochloride.

Molecular Properties

Compound Name3-iodo-N-[3-(methylamino)propyl]benzenesulfonamide;hydrochloride
PubChem CID119965124
Molecular FormulaC10H16ClIN2O2S
Molecular Weight390.67 g/mol
Exact Mass389.97
IUPAC Name3-iodo-N-[3-(methylamino)propyl]benzenesulfonamide;hydrochloride
SMILESCNCCCNS(=O)(=O)c1cccc(I)c1.Cl
InChIInChI=1S/C10H15IN2O2S.ClH/c1-12-6-3-7-13-16(14,15)10-5-2-4-9(11)8-10;/h2,4-5,8,12-13H,3,6-7H2,1H3;1H
InChIKeyLVGCBWCTCDFFHD-UHFFFAOYSA-N
XLogP1.60
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.67
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-iodo-N-[3-(methylamino)propyl]benzenesulfonamide;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-chloro-N-[3-(methylamino)propyl]benzenesulfonamide
CID 43605915
3-(methoxymethyl)-N-[3-(methylamino)propyl]benzenesulfonamide;hydrochloride
CID 119964995
3-iodo-N-[2-(propylamino)ethyl]benzenesulfonamide;hydrochloride
CID 120715836
3-iodo-N-[2-(propylamino)ethyl]benzenesulfonamide
CID 120715837
N-[3-(methylamino)propyl]naphthalene-2-sulfonamide;hydrochloride
CID 119964824
N-[3-(methylamino)propyl]-3-(trifluoromethoxy)benzenesulfonamide;hydrochloride
CID 119965033
methyl 3-[3-(methylamino)propylsulfamoyl]benzoate
CID 43605987
2,6-dichloro-N-[3-(methylamino)propyl]benzenesulfonamide
CID 43606022
4-bromo-3-methyl-N-[3-(methylamino)propyl]benzenesulfonamide
CID 43606030
N-[3-(methylamino)propyl]-4-[[3-(trifluoromethyl)phenyl]sulfonylamino]butanamide;hydrochloride
CID 119433256
2,6-dimethoxy-N-[3-(methylamino)propyl]benzenesulfonamide
CID 120707297
3-hydroxy-N-[3-(methanesulfonamido)propyl]benzenesulfonamide
CID 106340026

Frequently Asked Questions

What is the IUPAC name of 3-iodo-N-[3-(methylamino)propyl]benzenesulfonamide;hydrochloride?
The IUPAC name of 3-iodo-N-[3-(methylamino)propyl]benzenesulfonamide;hydrochloride (CID 119965124) is 3-iodo-N-[3-(methylamino)propyl]benzenesulfonamide;hydrochloride.
What is the SMILES notation for 3-iodo-N-[3-(methylamino)propyl]benzenesulfonamide;hydrochloride?
The canonical SMILES for 3-iodo-N-[3-(methylamino)propyl]benzenesulfonamide;hydrochloride is CNCCCNS(=O)(=O)c1cccc(I)c1.Cl.
What is the InChIKey of 3-iodo-N-[3-(methylamino)propyl]benzenesulfonamide;hydrochloride?
The InChIKey is LVGCBWCTCDFFHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15IN2O2S.ClH/c1-12-6-3-7-13-16(14,15)10-5-2-4-9(11)8-10;/h2,4-5,8,12-13H,3,6-7H2,1H3;1H.
What are the key properties of 3-iodo-N-[3-(methylamino)propyl]benzenesulfonamide;hydrochloride?
3-iodo-N-[3-(methylamino)propyl]benzenesulfonamide;hydrochloride has a molecular weight of 390.67 g/mol, XLogP of 1.60, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-iodo-N-[3-(methylamino)propyl]benzenesulfonamide;hydrochloride is sourced from PubChem (CID 119965124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).