2,4-dichloro-5-methyl-N-(6-morpholin-4-yl-3-pyridinyl)benzenesulfonamide

C16H17Cl2N3O3S — CID 74225889

IUPAC2,4-dichloro-5-methyl-N-(6-morpholin-4-yl-3-pyridinyl)benzenesulfonamide
SMILESCc1cc(S(=O)(=O)Nc2ccc(N3CCOCC3)nc2)c(Cl)cc1Cl
InChIInChI=1S/C16H17Cl2N3O3S/c1-11-8-15(14(18)9-13(11)17)25(22,23)20-12-2-3-16(19-10-12)21-4-6-24-7-5-21/h2-3,8-10,20H,4-7H2,1H3
InChIKeyOIRLTPSLIGAVQV-UHFFFAOYSA-N
MW402.30 g/mol
LogP3.33
Rot. Bonds4

About 2,4-dichloro-5-methyl-N-(6-morpholin-4-yl-3-pyridinyl)benzenesulfonamide

2,4-dichloro-5-methyl-N-(6-morpholin-4-yl-3-pyridinyl)benzenesulfonamide (PubChem CID 74225889) has the molecular formula C16H17Cl2N3O3S and a molecular weight of 402.30 g/mol. Its IUPAC name is 2,4-dichloro-5-methyl-N-(6-morpholin-4-yl-3-pyridinyl)benzenesulfonamide.

Molecular Properties

Compound Name2,4-dichloro-5-methyl-N-(6-morpholin-4-yl-3-pyridinyl)benzenesulfonamide
PubChem CID74225889
Molecular FormulaC16H17Cl2N3O3S
Molecular Weight402.30 g/mol
Exact Mass401.04
IUPAC Name2,4-dichloro-5-methyl-N-(6-morpholin-4-yl-3-pyridinyl)benzenesulfonamide
SMILESCc1cc(S(=O)(=O)Nc2ccc(N3CCOCC3)nc2)c(Cl)cc1Cl
InChIInChI=1S/C16H17Cl2N3O3S/c1-11-8-15(14(18)9-13(11)17)25(22,23)20-12-2-3-16(19-10-12)21-4-6-24-7-5-21/h2-3,8-10,20H,4-7H2,1H3
InChIKeyOIRLTPSLIGAVQV-UHFFFAOYSA-N
XLogP3.33
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.30
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2,4-dichloro-5-methyl-N-[4-[(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)amino]phenyl]benzenesulfonamide
CID 122297485
3,5-dichloro-N-(6-morpholin-4-yl-3-pyridinyl)benzenesulfonamide
CID 25044149
N-(6-morpholin-4-yl-3-pyridinyl)ethanesulfonamide
CID 53016560
4-(2,4-dichloro-5-methylphenyl)sulfonylmorpholine
CID 775833
2-chloro-N-[6-(4-formylpiperazin-1-yl)-3-pyridinyl]benzenesulfonamide
CID 113011206
N-[6-(azepan-1-yl)-3-pyridinyl]-4-methoxy-2,5-dimethylbenzenesulfonamide
CID 113015961
4-(4-chloro-5-methyl-2-pyridinyl)morpholine
CID 142202781
2,5-dimethyl-N-[6-(4-methylpiperidin-1-yl)-3-pyridinyl]benzenesulfonamide
CID 113010183
2-(4-chloro-3-methylphenoxy)-N-(6-morpholin-4-yl-3-pyridinyl)propanamide
CID 55823804
5-chloro-2-methoxy-N-(6-pyrrolidin-1-yl-3-pyridinyl)benzenesulfonamide
CID 113009843
2,4,5-trimethyl-N-[4-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)amino]phenyl]benzenesulfonamide
CID 27475758
2,2-dimethyl-N-(6-morpholin-4-yl-3-pyridinyl)propanamide
CID 11391397

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-5-methyl-N-(6-morpholin-4-yl-3-pyridinyl)benzenesulfonamide?
The IUPAC name of 2,4-dichloro-5-methyl-N-(6-morpholin-4-yl-3-pyridinyl)benzenesulfonamide (CID 74225889) is 2,4-dichloro-5-methyl-N-(6-morpholin-4-yl-3-pyridinyl)benzenesulfonamide.
What is the SMILES notation for 2,4-dichloro-5-methyl-N-(6-morpholin-4-yl-3-pyridinyl)benzenesulfonamide?
The canonical SMILES for 2,4-dichloro-5-methyl-N-(6-morpholin-4-yl-3-pyridinyl)benzenesulfonamide is Cc1cc(S(=O)(=O)Nc2ccc(N3CCOCC3)nc2)c(Cl)cc1Cl.
What is the InChIKey of 2,4-dichloro-5-methyl-N-(6-morpholin-4-yl-3-pyridinyl)benzenesulfonamide?
The InChIKey is OIRLTPSLIGAVQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17Cl2N3O3S/c1-11-8-15(14(18)9-13(11)17)25(22,23)20-12-2-3-16(19-10-12)21-4-6-24-7-5-21/h2-3,8-10,20H,4-7H2,1H3.
What are the key properties of 2,4-dichloro-5-methyl-N-(6-morpholin-4-yl-3-pyridinyl)benzenesulfonamide?
2,4-dichloro-5-methyl-N-(6-morpholin-4-yl-3-pyridinyl)benzenesulfonamide has a molecular weight of 402.30 g/mol, XLogP of 3.33, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-5-methyl-N-(6-morpholin-4-yl-3-pyridinyl)benzenesulfonamide is sourced from PubChem (CID 74225889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).