4-amino-5-chloro-N-[3-(dimethylamino)propyl]-2-methoxybenzenesulfonamide;hydrochloride

C12H21Cl2N3O3S — CID 3046709

IUPAC4-amino-5-chloro-N-[3-(dimethylamino)propyl]-2-methoxybenzenesulfonamide;hydrochloride
SMILESCOc1cc(N)c(Cl)cc1S(=O)(=O)NCCCN(C)C.Cl
InChIInChI=1S/C12H20ClN3O3S.ClH/c1-16(2)6-4-5-15-20(17,18)12-7-9(13)10(14)8-11(12)19-3;/h7-8,15H,4-6,14H2,1-3H3;1H
InChIKeySUYZRORYGZZPQI-UHFFFAOYSA-N
MW358.29 g/mol
LogP1.58
Rot. Bonds7

About 4-amino-5-chloro-N-[3-(dimethylamino)propyl]-2-methoxybenzenesulfonamide;hydrochloride

4-amino-5-chloro-N-[3-(dimethylamino)propyl]-2-methoxybenzenesulfonamide;hydrochloride (PubChem CID 3046709) has the molecular formula C12H21Cl2N3O3S and a molecular weight of 358.29 g/mol. Its IUPAC name is 4-amino-5-chloro-N-[3-(dimethylamino)propyl]-2-methoxybenzenesulfonamide;hydrochloride.

Molecular Properties

Compound Name4-amino-5-chloro-N-[3-(dimethylamino)propyl]-2-methoxybenzenesulfonamide;hydrochloride
PubChem CID3046709
Molecular FormulaC12H21Cl2N3O3S
Molecular Weight358.29 g/mol
Exact Mass357.07
IUPAC Name4-amino-5-chloro-N-[3-(dimethylamino)propyl]-2-methoxybenzenesulfonamide;hydrochloride
SMILESCOc1cc(N)c(Cl)cc1S(=O)(=O)NCCCN(C)C.Cl
InChIInChI=1S/C12H20ClN3O3S.ClH/c1-16(2)6-4-5-15-20(17,18)12-7-9(13)10(14)8-11(12)19-3;/h7-8,15H,4-6,14H2,1-3H3;1H
InChIKeySUYZRORYGZZPQI-UHFFFAOYSA-N
XLogP1.58
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.29
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

5-chloro-N-[3-(dimethylamino)propyl]-2-methoxy-4-methylbenzenesulfonamide
CID 110757907
4-amino-5-chloro-2-methoxy-N-(3-morpholin-4-ylpropyl)benzenesulfonamide;hydrochloride
CID 3047039
3,5-dichloro-N-[3-(dimethylamino)propyl]-2-methoxybenzenesulfonamide
CID 110758544
4-amino-N-butyl-2,5-dichlorobenzenesulfonamide
CID 70634654
2-amino-N-[3-(dimethylamino)propyl]benzenesulfonamide
CID 16782691
5-amino-2,4-dimethoxy-N-(4-methoxybutyl)benzenesulfonamide
CID 102945974
4-amino-N-[3-(diethylamino)propyl]-2-methoxybenzenesulfonamide
CID 3046698
4-amino-N-[4-(dimethylamino)butyl]-3-methoxybenzenesulfonamide
CID 81438619
3-amino-4-bromo-5-chloro-N-[4-(dimethylamino)butyl]-2-fluorobenzenesulfonamide
CID 103077439
2-amino-5-bromo-N-[3-(dimethylamino)propyl]benzenesulfonamide
CID 54888653
N-(3-aminopropyl)-2-bromo-5-chloro-4-methoxybenzenesulfonamide;hydrochloride
CID 119962253
5-chloro-N-[2-(diethylamino)ethyl]-2-methoxy-4-methylbenzenesulfonamide
CID 91669771

Frequently Asked Questions

What is the IUPAC name of 4-amino-5-chloro-N-[3-(dimethylamino)propyl]-2-methoxybenzenesulfonamide;hydrochloride?
The IUPAC name of 4-amino-5-chloro-N-[3-(dimethylamino)propyl]-2-methoxybenzenesulfonamide;hydrochloride (CID 3046709) is 4-amino-5-chloro-N-[3-(dimethylamino)propyl]-2-methoxybenzenesulfonamide;hydrochloride.
What is the SMILES notation for 4-amino-5-chloro-N-[3-(dimethylamino)propyl]-2-methoxybenzenesulfonamide;hydrochloride?
The canonical SMILES for 4-amino-5-chloro-N-[3-(dimethylamino)propyl]-2-methoxybenzenesulfonamide;hydrochloride is COc1cc(N)c(Cl)cc1S(=O)(=O)NCCCN(C)C.Cl.
What is the InChIKey of 4-amino-5-chloro-N-[3-(dimethylamino)propyl]-2-methoxybenzenesulfonamide;hydrochloride?
The InChIKey is SUYZRORYGZZPQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20ClN3O3S.ClH/c1-16(2)6-4-5-15-20(17,18)12-7-9(13)10(14)8-11(12)19-3;/h7-8,15H,4-6,14H2,1-3H3;1H.
What are the key properties of 4-amino-5-chloro-N-[3-(dimethylamino)propyl]-2-methoxybenzenesulfonamide;hydrochloride?
4-amino-5-chloro-N-[3-(dimethylamino)propyl]-2-methoxybenzenesulfonamide;hydrochloride has a molecular weight of 358.29 g/mol, XLogP of 1.58, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-5-chloro-N-[3-(dimethylamino)propyl]-2-methoxybenzenesulfonamide;hydrochloride is sourced from PubChem (CID 3046709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).