3-chloro-N-[3-(methylamino)propyl]benzenesulfonamide

C10H15ClN2O2S — CID 43605915

IUPAC3-chloro-N-[3-(methylamino)propyl]benzenesulfonamide
SMILESCNCCCNS(=O)(=O)c1cccc(Cl)c1
InChIInChI=1S/C10H15ClN2O2S/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
InChIKeyHHTIUTVAENKHAX-UHFFFAOYSA-N
MW262.76 g/mol
LogP1.23
Rot. Bonds6

About 3-chloro-N-[3-(methylamino)propyl]benzenesulfonamide

3-chloro-N-[3-(methylamino)propyl]benzenesulfonamide (PubChem CID 43605915) has the molecular formula C10H15ClN2O2S and a molecular weight of 262.76 g/mol. Its IUPAC name is 3-chloro-N-[3-(methylamino)propyl]benzenesulfonamide.

Molecular Properties

Compound Name3-chloro-N-[3-(methylamino)propyl]benzenesulfonamide
PubChem CID43605915
Molecular FormulaC10H15ClN2O2S
Molecular Weight262.76 g/mol
Exact Mass262.05
IUPAC Name3-chloro-N-[3-(methylamino)propyl]benzenesulfonamide
SMILESCNCCCNS(=O)(=O)c1cccc(Cl)c1
InChIInChI=1S/C10H15ClN2O2S/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
InChIKeyHHTIUTVAENKHAX-UHFFFAOYSA-N
XLogP1.23
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 ≤ 51.23
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-[2-[(3-chlorophenyl)sulfonylamino]ethyl]-4-(methylamino)butanamide;hydrochloride
CID 119704291
N-(3-aminopropyl)-3-chlorobenzenesulfonamide;hydrochloride
CID 119962046
3-chloro-N-(5-iodopentyl)benzenesulfonamide
CID 107322870
3-chloro-N-(5-hydroxypentyl)benzenesulfonamide
CID 69467627
3-iodo-N-[3-(methylamino)propyl]benzenesulfonamide;hydrochloride
CID 119965124
3-chloro-N-(3-phenylpropyl)benzenesulfonamide
CID 26948501
4-[(3-chlorophenyl)sulfonylamino]butanoic acid
CID 28829036
2,6-dichloro-N-[3-(methylamino)propyl]benzenesulfonamide
CID 43606022
3-(methoxymethyl)-N-[3-(methylamino)propyl]benzenesulfonamide;hydrochloride
CID 119964995
3-chloro-N-[3-(4-methylpiperazine-1,4-diium-1-yl)propyl]benzenesulfonamide
CID 8824103
3-chloro-N-pent-3-ynylbenzenesulfonamide
CID 115977985
methyl 3-[3-(methylamino)propylsulfamoyl]benzoate
CID 43605987

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[3-(methylamino)propyl]benzenesulfonamide?
The IUPAC name of 3-chloro-N-[3-(methylamino)propyl]benzenesulfonamide (CID 43605915) is 3-chloro-N-[3-(methylamino)propyl]benzenesulfonamide.
What is the SMILES notation for 3-chloro-N-[3-(methylamino)propyl]benzenesulfonamide?
The canonical SMILES for 3-chloro-N-[3-(methylamino)propyl]benzenesulfonamide is CNCCCNS(=O)(=O)c1cccc(Cl)c1.
What is the InChIKey of 3-chloro-N-[3-(methylamino)propyl]benzenesulfonamide?
The InChIKey is HHTIUTVAENKHAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15ClN2O2S/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.
What are the key properties of 3-chloro-N-[3-(methylamino)propyl]benzenesulfonamide?
3-chloro-N-[3-(methylamino)propyl]benzenesulfonamide has a molecular weight of 262.76 g/mol, XLogP of 1.23, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[3-(methylamino)propyl]benzenesulfonamide is sourced from PubChem (CID 43605915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).