3-chloro-N-[6-[2-(dimethylamino)ethylamino]-3-pyridinyl]-4-methoxybenzenesulfonamide

C16H21ClN4O3S — CID 113010810

IUPAC3-chloro-N-[6-[2-(dimethylamino)ethylamino]-3-pyridinyl]-4-methoxybenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)Nc2ccc(NCCN(C)C)nc2)cc1Cl
InChIInChI=1S/C16H21ClN4O3S/c1-21(2)9-8-18-16-7-4-12(11-19-16)20-25(22,23)13-5-6-15(24-3)14(17)10-13/h4-7,10-11,20H,8-9H2,1-3H3,(H,18,19)
InChIKeyHWDMVPAXJUSTLK-UHFFFAOYSA-N
MW384.89 g/mol
LogP2.52
Rot. Bonds8

About 3-chloro-N-[6-[2-(dimethylamino)ethylamino]-3-pyridinyl]-4-methoxybenzenesulfonamide

3-chloro-N-[6-[2-(dimethylamino)ethylamino]-3-pyridinyl]-4-methoxybenzenesulfonamide (PubChem CID 113010810) has the molecular formula C16H21ClN4O3S and a molecular weight of 384.89 g/mol. Its IUPAC name is 3-chloro-N-[6-[2-(dimethylamino)ethylamino]-3-pyridinyl]-4-methoxybenzenesulfonamide.

Molecular Properties

Compound Name3-chloro-N-[6-[2-(dimethylamino)ethylamino]-3-pyridinyl]-4-methoxybenzenesulfonamide
PubChem CID113010810
Molecular FormulaC16H21ClN4O3S
Molecular Weight384.89 g/mol
Exact Mass384.10
IUPAC Name3-chloro-N-[6-[2-(dimethylamino)ethylamino]-3-pyridinyl]-4-methoxybenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)Nc2ccc(NCCN(C)C)nc2)cc1Cl
InChIInChI=1S/C16H21ClN4O3S/c1-21(2)9-8-18-16-7-4-12(11-19-16)20-25(22,23)13-5-6-15(24-3)14(17)10-13/h4-7,10-11,20H,8-9H2,1-3H3,(H,18,19)
InChIKeyHWDMVPAXJUSTLK-UHFFFAOYSA-N
XLogP2.52
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.89
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[6-[2-(dimethylamino)ethylamino]-3-pyridinyl]-2,4-dimethoxybenzenesulfonamide
CID 113010801
N-[6-[3-(dimethylamino)propylamino]-3-pyridinyl]-3,4-dimethylbenzenesulfonamide
CID 113010999
N-[6-[3-(dimethylamino)propylamino]-3-pyridinyl]benzenesulfonamide
CID 113010994
4-chloro-3-methyl-N-[6-(propylamino)-3-pyridinyl]benzenesulfonamide
CID 113009140
3-chloro-N-(4-ethylsulfonylphenyl)-4-methoxybenzenesulfonamide
CID 39829723
5-[(3-chloro-4-methoxyphenyl)sulfonylamino]-2-(dipropylamino)pyridine-3-carboxylic acid
CID 53024633
3-chloro-4-methoxy-N-pyrimidin-2-ylbenzenesulfonamide
CID 110756685
N-[4-[3-(dimethylamino)propylamino]phenyl]-3,4-dimethoxybenzenesulfonamide
CID 112981589
3-chloro-4-methoxy-N-(2-pyrrolidin-1-ylpyrimidin-5-yl)benzenesulfonamide
CID 71790196
N-[5-(3-chloro-4-methoxyanilino)-2-pyridinyl]benzenesulfonamide
CID 113033802
5-[2-(dimethylamino)ethylamino]-2-(dimethylsulfamoylamino)pyridine
CID 113025561
N-[6-(3-chloro-4-methoxyanilino)-3-pyridinyl]ethanesulfonamide
CID 113019129

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[6-[2-(dimethylamino)ethylamino]-3-pyridinyl]-4-methoxybenzenesulfonamide?
The IUPAC name of 3-chloro-N-[6-[2-(dimethylamino)ethylamino]-3-pyridinyl]-4-methoxybenzenesulfonamide (CID 113010810) is 3-chloro-N-[6-[2-(dimethylamino)ethylamino]-3-pyridinyl]-4-methoxybenzenesulfonamide.
What is the SMILES notation for 3-chloro-N-[6-[2-(dimethylamino)ethylamino]-3-pyridinyl]-4-methoxybenzenesulfonamide?
The canonical SMILES for 3-chloro-N-[6-[2-(dimethylamino)ethylamino]-3-pyridinyl]-4-methoxybenzenesulfonamide is COc1ccc(S(=O)(=O)Nc2ccc(NCCN(C)C)nc2)cc1Cl.
What is the InChIKey of 3-chloro-N-[6-[2-(dimethylamino)ethylamino]-3-pyridinyl]-4-methoxybenzenesulfonamide?
The InChIKey is HWDMVPAXJUSTLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21ClN4O3S/c1-21(2)9-8-18-16-7-4-12(11-19-16)20-25(22,23)13-5-6-15(24-3)14(17)10-13/h4-7,10-11,20H,8-9H2,1-3H3,(H,18,19).
What are the key properties of 3-chloro-N-[6-[2-(dimethylamino)ethylamino]-3-pyridinyl]-4-methoxybenzenesulfonamide?
3-chloro-N-[6-[2-(dimethylamino)ethylamino]-3-pyridinyl]-4-methoxybenzenesulfonamide has a molecular weight of 384.89 g/mol, XLogP of 2.52, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[6-[2-(dimethylamino)ethylamino]-3-pyridinyl]-4-methoxybenzenesulfonamide is sourced from PubChem (CID 113010810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).