4-amino-2-chloro-N-(3-methoxypropyl)-N-methylbenzenesulfonamide

C11H17ClN2O3S — CID 62985193

IUPAC4-amino-2-chloro-N-(3-methoxypropyl)-N-methylbenzenesulfonamide
SMILESCOCCCN(C)S(=O)(=O)c1ccc(N)cc1Cl
InChIInChI=1S/C11H17ClN2O3S/c1-14(6-3-7-17-2)18(15,16)11-5-4-9(13)8-10(11)12/h4-5,8H,3,6-7,13H2,1-2H3
InChIKeyPIKFAQLYZXXYOC-UHFFFAOYSA-N
MW292.79 g/mol
LogP1.58
Rot. Bonds6

About 4-amino-2-chloro-N-(3-methoxypropyl)-N-methylbenzenesulfonamide

4-amino-2-chloro-N-(3-methoxypropyl)-N-methylbenzenesulfonamide (PubChem CID 62985193) has the molecular formula C11H17ClN2O3S and a molecular weight of 292.79 g/mol. Its IUPAC name is 4-amino-2-chloro-N-(3-methoxypropyl)-N-methylbenzenesulfonamide.

Molecular Properties

Compound Name4-amino-2-chloro-N-(3-methoxypropyl)-N-methylbenzenesulfonamide
PubChem CID62985193
Molecular FormulaC11H17ClN2O3S
Molecular Weight292.79 g/mol
Exact Mass292.06
IUPAC Name4-amino-2-chloro-N-(3-methoxypropyl)-N-methylbenzenesulfonamide
SMILESCOCCCN(C)S(=O)(=O)c1ccc(N)cc1Cl
InChIInChI=1S/C11H17ClN2O3S/c1-14(6-3-7-17-2)18(15,16)11-5-4-9(13)8-10(11)12/h4-5,8H,3,6-7,13H2,1-2H3
InChIKeyPIKFAQLYZXXYOC-UHFFFAOYSA-N
XLogP1.58
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.79
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-amino-2-[3-methoxypropyl(methyl)sulfamoyl]benzoic acid
CID 102931220
4-amino-2-chloro-N-methyl-N-(2,2,2-trifluoroethyl)benzenesulfonamide
CID 60891916
4-bromo-2-chloro-N-(2-methoxyethyl)-N-methylbenzenesulfonamide
CID 61060615
5-amino-N-butyl-2-chloro-N-methylbenzenesulfonamide
CID 29290326
4-(chloromethyl)-2-fluoro-N-(3-methoxypropyl)-N-methylbenzenesulfonamide
CID 79187004
4-bromo-N-(3-bromopropyl)-2-chloro-N-methylbenzenesulfonamide
CID 106441744
2-hydroxy-N-(3-methoxypropyl)-N-methylbenzenesulfonamide
CID 81246026
3-chloro-4-(3-methoxypropylsulfonylmethyl)aniline
CID 55260925
4-amino-2-chloro-N-(2-methoxyethyl)-N-(thiolan-3-yl)benzenesulfonamide
CID 61113523
4-amino-2-chloro-N-(2-ethoxyethyl)-N-ethylbenzenesulfonamide
CID 63696287
3-amino-5-bromo-N-(3-methoxypropyl)-N,2-dimethylbenzenesulfonamide
CID 114379564
5-amino-2-ethoxy-N-(2-methoxyethyl)-N-methylbenzenesulfonamide
CID 61428184

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-chloro-N-(3-methoxypropyl)-N-methylbenzenesulfonamide?
The IUPAC name of 4-amino-2-chloro-N-(3-methoxypropyl)-N-methylbenzenesulfonamide (CID 62985193) is 4-amino-2-chloro-N-(3-methoxypropyl)-N-methylbenzenesulfonamide.
What is the SMILES notation for 4-amino-2-chloro-N-(3-methoxypropyl)-N-methylbenzenesulfonamide?
The canonical SMILES for 4-amino-2-chloro-N-(3-methoxypropyl)-N-methylbenzenesulfonamide is COCCCN(C)S(=O)(=O)c1ccc(N)cc1Cl.
What is the InChIKey of 4-amino-2-chloro-N-(3-methoxypropyl)-N-methylbenzenesulfonamide?
The InChIKey is PIKFAQLYZXXYOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17ClN2O3S/c1-14(6-3-7-17-2)18(15,16)11-5-4-9(13)8-10(11)12/h4-5,8H,3,6-7,13H2,1-2H3.
What are the key properties of 4-amino-2-chloro-N-(3-methoxypropyl)-N-methylbenzenesulfonamide?
4-amino-2-chloro-N-(3-methoxypropyl)-N-methylbenzenesulfonamide has a molecular weight of 292.79 g/mol, XLogP of 1.58, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-chloro-N-(3-methoxypropyl)-N-methylbenzenesulfonamide is sourced from PubChem (CID 62985193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).