4-(3,5-dichloro-2-pyridinyl)-N-[3-[(dimethylamino)methyl]phenyl]benzenesulfonamide

C20H19Cl2N3O2S — CID 45137889

IUPAC4-(3,5-dichloro-2-pyridinyl)-N-[3-[(dimethylamino)methyl]phenyl]benzenesulfonamide
SMILESCN(C)Cc1cccc(NS(=O)(=O)c2ccc(-c3ncc(Cl)cc3Cl)cc2)c1
InChIInChI=1S/C20H19Cl2N3O2S/c1-25(2)13-14-4-3-5-17(10-14)24-28(26,27)18-8-6-15(7-9-18)20-19(22)11-16(21)12-23-20/h3-12,24H,13H2,1-2H3
InChIKeyXSFCQHCNKMENIF-UHFFFAOYSA-N
MW436.36 g/mol
LogP4.92
Rot. Bonds6

About 4-(3,5-dichloro-2-pyridinyl)-N-[3-[(dimethylamino)methyl]phenyl]benzenesulfonamide

4-(3,5-dichloro-2-pyridinyl)-N-[3-[(dimethylamino)methyl]phenyl]benzenesulfonamide (PubChem CID 45137889) has the molecular formula C20H19Cl2N3O2S and a molecular weight of 436.36 g/mol. Its IUPAC name is 4-(3,5-dichloro-2-pyridinyl)-N-[3-[(dimethylamino)methyl]phenyl]benzenesulfonamide.

Molecular Properties

Compound Name4-(3,5-dichloro-2-pyridinyl)-N-[3-[(dimethylamino)methyl]phenyl]benzenesulfonamide
PubChem CID45137889
Molecular FormulaC20H19Cl2N3O2S
Molecular Weight436.36 g/mol
Exact Mass435.06
IUPAC Name4-(3,5-dichloro-2-pyridinyl)-N-[3-[(dimethylamino)methyl]phenyl]benzenesulfonamide
SMILESCN(C)Cc1cccc(NS(=O)(=O)c2ccc(-c3ncc(Cl)cc3Cl)cc2)c1
InChIInChI=1S/C20H19Cl2N3O2S/c1-25(2)13-14-4-3-5-17(10-14)24-28(26,27)18-8-6-15(7-9-18)20-19(22)11-16(21)12-23-20/h3-12,24H,13H2,1-2H3
InChIKeyXSFCQHCNKMENIF-UHFFFAOYSA-N
XLogP4.92
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.36
LogP ≤ 54.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-chloro-N-[3-[(dimethylamino)methyl]phenyl]pyrimidine-5-sulfonamide
CID 61053276
N-[3-[(dimethylamino)methyl]phenyl]-5-methyl-1H-pyrazole-4-sulfonamide
CID 61273424
5-bromo-4-chloro-N-[3-[(dimethylamino)methyl]phenyl]thiophene-2-sulfonamide
CID 80578453
N-[3-[(dimethylamino)methyl]phenyl]-1,3-thiazole-5-sulfonamide
CID 140565096
4-(2,4-dichlorophenyl)-N-[3-(2-hydroxyethyl)phenyl]benzenesulfonamide
CID 25094423
[3-[(dimethylamino)methyl]phenyl]sulfamic acid
CID 123946083
3-[[4-(2,4-dichlorophenyl)phenyl]sulfonylamino]-N,N-dimethylbenzenesulfonamide
CID 70911541
4-chloro-N-[3-[(dimethylamino)methyl]phenyl]butane-1-sulfonamide
CID 116815596
6-amino-N-(3-ethylphenyl)pyridine-3-sulfonamide
CID 62144898
N-(3-benzylphenyl)-3,4-dichlorobenzenesulfonamide
CID 3858982
3-[[4-(2,4-dichlorophenyl)phenyl]sulfonylamino]benzenesulfonamide
CID 45138636
N-(3-benzylphenyl)-4-methylbenzenesulfonamide
CID 3765217

Frequently Asked Questions

What is the IUPAC name of 4-(3,5-dichloro-2-pyridinyl)-N-[3-[(dimethylamino)methyl]phenyl]benzenesulfonamide?
The IUPAC name of 4-(3,5-dichloro-2-pyridinyl)-N-[3-[(dimethylamino)methyl]phenyl]benzenesulfonamide (CID 45137889) is 4-(3,5-dichloro-2-pyridinyl)-N-[3-[(dimethylamino)methyl]phenyl]benzenesulfonamide.
What is the SMILES notation for 4-(3,5-dichloro-2-pyridinyl)-N-[3-[(dimethylamino)methyl]phenyl]benzenesulfonamide?
The canonical SMILES for 4-(3,5-dichloro-2-pyridinyl)-N-[3-[(dimethylamino)methyl]phenyl]benzenesulfonamide is CN(C)Cc1cccc(NS(=O)(=O)c2ccc(-c3ncc(Cl)cc3Cl)cc2)c1.
What is the InChIKey of 4-(3,5-dichloro-2-pyridinyl)-N-[3-[(dimethylamino)methyl]phenyl]benzenesulfonamide?
The InChIKey is XSFCQHCNKMENIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19Cl2N3O2S/c1-25(2)13-14-4-3-5-17(10-14)24-28(26,27)18-8-6-15(7-9-18)20-19(22)11-16(21)12-23-20/h3-12,24H,13H2,1-2H3.
What are the key properties of 4-(3,5-dichloro-2-pyridinyl)-N-[3-[(dimethylamino)methyl]phenyl]benzenesulfonamide?
4-(3,5-dichloro-2-pyridinyl)-N-[3-[(dimethylamino)methyl]phenyl]benzenesulfonamide has a molecular weight of 436.36 g/mol, XLogP of 4.92, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,5-dichloro-2-pyridinyl)-N-[3-[(dimethylamino)methyl]phenyl]benzenesulfonamide is sourced from PubChem (CID 45137889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).