5-(dimethylamino)-N-[(4-methylphenyl)methyl]-N-pyridin-3-ylnaphthalene-1-sulfonamide

C25H25N3O2S — CID 173439861

IUPAC5-(dimethylamino)-N-[(4-methylphenyl)methyl]-N-pyridin-3-ylnaphthalene-1-sulfonamide
SMILESCc1ccc(CN(c2cccnc2)S(=O)(=O)c2cccc3c(N(C)C)cccc23)cc1
InChIInChI=1S/C25H25N3O2S/c1-19-12-14-20(15-13-19)18-28(21-7-6-16-26-17-21)31(29,30)25-11-5-8-22-23(25)9-4-10-24(22)27(2)3/h4-17H,18H2,1-3H3
InChIKeyBBYWCODZDQIETE-UHFFFAOYSA-N
MW431.56 g/mol
LogP5.00
Rot. Bonds6

About 5-(dimethylamino)-N-[(4-methylphenyl)methyl]-N-pyridin-3-ylnaphthalene-1-sulfonamide

5-(dimethylamino)-N-[(4-methylphenyl)methyl]-N-pyridin-3-ylnaphthalene-1-sulfonamide (PubChem CID 173439861) has the molecular formula C25H25N3O2S and a molecular weight of 431.56 g/mol. Its IUPAC name is 5-(dimethylamino)-N-[(4-methylphenyl)methyl]-N-pyridin-3-ylnaphthalene-1-sulfonamide.

Molecular Properties

Compound Name5-(dimethylamino)-N-[(4-methylphenyl)methyl]-N-pyridin-3-ylnaphthalene-1-sulfonamide
PubChem CID173439861
Molecular FormulaC25H25N3O2S
Molecular Weight431.56 g/mol
Exact Mass431.17
IUPAC Name5-(dimethylamino)-N-[(4-methylphenyl)methyl]-N-pyridin-3-ylnaphthalene-1-sulfonamide
SMILESCc1ccc(CN(c2cccnc2)S(=O)(=O)c2cccc3c(N(C)C)cccc23)cc1
InChIInChI=1S/C25H25N3O2S/c1-19-12-14-20(15-13-19)18-28(21-7-6-16-26-17-21)31(29,30)25-11-5-8-22-23(25)9-4-10-24(22)27(2)3/h4-17H,18H2,1-3H3
InChIKeyBBYWCODZDQIETE-UHFFFAOYSA-N
XLogP5.00
TPSA53.51 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500431.56
LogP ≤ 55.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-methylphenyl)-N-(pyridin-3-ylmethyl)benzenesulfonamide
CID 110360446
5-(dimethylamino)-N,N-bis(pyridin-2-ylmethyl)naphthalene-1-sulfonamide
CID 102189253
2-fluoro-N-(3-fluorophenyl)-N-[(4-methylphenyl)methyl]benzenesulfonamide
CID 46152535
4-methoxy-2-methyl-N-(4-methylphenyl)-N-(pyridin-3-ylmethyl)benzenesulfonamide
CID 110360451
(2S)-2-[benzyl-[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]-3-methylbutanoic acid
CID 10836847
ethyl 5-(dimethylamino)naphthalene-1-sulfonate
CID 14290422
4-methoxy-N-(4-methylphenyl)-N-(pyridin-3-ylmethyl)benzenesulfonamide
CID 110360449
2-bromo-N-(4-chlorophenyl)-4-methyl-N-(pyridin-3-ylmethyl)benzenesulfonamide
CID 52634284
3-acetyl-N-(4-methylphenyl)-N-(pyridin-3-ylmethyl)benzenesulfonamide
CID 110360476
2-chloro-N-(3-methoxyphenyl)-N-(pyridin-3-ylmethyl)benzenesulfonamide
CID 110360581
4-acetyl-N-(4-methylphenyl)-N-(pyridin-3-ylmethyl)benzenesulfonamide
CID 110360477
N-methyl-1-(4-methylphenyl)-N-(pyridin-3-ylmethyl)methanesulfonamide
CID 110724733

Frequently Asked Questions

What is the IUPAC name of 5-(dimethylamino)-N-[(4-methylphenyl)methyl]-N-pyridin-3-ylnaphthalene-1-sulfonamide?
The IUPAC name of 5-(dimethylamino)-N-[(4-methylphenyl)methyl]-N-pyridin-3-ylnaphthalene-1-sulfonamide (CID 173439861) is 5-(dimethylamino)-N-[(4-methylphenyl)methyl]-N-pyridin-3-ylnaphthalene-1-sulfonamide.
What is the SMILES notation for 5-(dimethylamino)-N-[(4-methylphenyl)methyl]-N-pyridin-3-ylnaphthalene-1-sulfonamide?
The canonical SMILES for 5-(dimethylamino)-N-[(4-methylphenyl)methyl]-N-pyridin-3-ylnaphthalene-1-sulfonamide is Cc1ccc(CN(c2cccnc2)S(=O)(=O)c2cccc3c(N(C)C)cccc23)cc1.
What is the InChIKey of 5-(dimethylamino)-N-[(4-methylphenyl)methyl]-N-pyridin-3-ylnaphthalene-1-sulfonamide?
The InChIKey is BBYWCODZDQIETE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N3O2S/c1-19-12-14-20(15-13-19)18-28(21-7-6-16-26-17-21)31(29,30)25-11-5-8-22-23(25)9-4-10-24(22)27(2)3/h4-17H,18H2,1-3H3.
What are the key properties of 5-(dimethylamino)-N-[(4-methylphenyl)methyl]-N-pyridin-3-ylnaphthalene-1-sulfonamide?
5-(dimethylamino)-N-[(4-methylphenyl)methyl]-N-pyridin-3-ylnaphthalene-1-sulfonamide has a molecular weight of 431.56 g/mol, XLogP of 5.00, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(dimethylamino)-N-[(4-methylphenyl)methyl]-N-pyridin-3-ylnaphthalene-1-sulfonamide is sourced from PubChem (CID 173439861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).