N-[5-[4-(dimethylamino)anilino]-2-pyridinyl]-4-methylbenzenesulfonamide

C20H22N4O2S — CID 113035556

IUPACN-[5-[4-(dimethylamino)anilino]-2-pyridinyl]-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2ccc(Nc3ccc(N(C)C)cc3)cn2)cc1
InChIInChI=1S/C20H22N4O2S/c1-15-4-11-19(12-5-15)27(25,26)23-20-13-8-17(14-21-20)22-16-6-9-18(10-7-16)24(2)3/h4-14,22H,1-3H3,(H,21,23)
InChIKeyCZWOJNUFWURFAC-UHFFFAOYSA-N
MW382.49 g/mol
LogP4.00
Rot. Bonds6

About N-[5-[4-(dimethylamino)anilino]-2-pyridinyl]-4-methylbenzenesulfonamide

N-[5-[4-(dimethylamino)anilino]-2-pyridinyl]-4-methylbenzenesulfonamide (PubChem CID 113035556) has the molecular formula C20H22N4O2S and a molecular weight of 382.49 g/mol. Its IUPAC name is N-[5-[4-(dimethylamino)anilino]-2-pyridinyl]-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[5-[4-(dimethylamino)anilino]-2-pyridinyl]-4-methylbenzenesulfonamide
PubChem CID113035556
Molecular FormulaC20H22N4O2S
Molecular Weight382.49 g/mol
Exact Mass382.15
IUPAC NameN-[5-[4-(dimethylamino)anilino]-2-pyridinyl]-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2ccc(Nc3ccc(N(C)C)cc3)cn2)cc1
InChIInChI=1S/C20H22N4O2S/c1-15-4-11-19(12-5-15)27(25,26)23-20-13-8-17(14-21-20)22-16-6-9-18(10-7-16)24(2)3/h4-14,22H,1-3H3,(H,21,23)
InChIKeyCZWOJNUFWURFAC-UHFFFAOYSA-N
XLogP4.00
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.49
LogP ≤ 54.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

N-[5-[4-(dimethylamino)anilino]-2-pyridinyl]ethanesulfonamide
CID 113035551
N-[5-(diethylamino)-2-pyridinyl]-4-methylbenzenesulfonamide
CID 113029747
N-[6-[4-(dimethylamino)anilino]-3-pyridinyl]-2,4-dimethylbenzenesulfonamide
CID 113020920
N-(5-anilino-2-pyridinyl)-4-tert-butylbenzenesulfonamide
CID 113031285
N-(5-bromo-2-pyridinyl)-4-methylbenzenesulfonamide
CID 673877
N-[5-(4-methylanilino)-2-pyridinyl]propane-1-sulfonamide
CID 113031592
N-[5-(3,5-dimethylanilino)-2-pyridinyl]-4-ethoxybenzenesulfonamide
CID 113032235
N-[5-(3,4-dimethylanilino)-2-pyridinyl]benzenesulfonamide
CID 113032141
4-methyl-N-[6-(2,4,6-trimethylanilino)-3-pyridinyl]benzenesulfonamide
CID 113017941
N-[5-(4-ethylanilino)-2-pyridinyl]benzenesulfonamide
CID 113032527
N-[5-(4-propan-2-ylanilino)-2-pyridinyl]benzenesulfonamide
CID 113032795
N-[5-[(4-chlorophenyl)methylamino]-2-pyridinyl]-4-methylbenzenesulfonamide
CID 113027303

Frequently Asked Questions

What is the IUPAC name of N-[5-[4-(dimethylamino)anilino]-2-pyridinyl]-4-methylbenzenesulfonamide?
The IUPAC name of N-[5-[4-(dimethylamino)anilino]-2-pyridinyl]-4-methylbenzenesulfonamide (CID 113035556) is N-[5-[4-(dimethylamino)anilino]-2-pyridinyl]-4-methylbenzenesulfonamide.
What is the SMILES notation for N-[5-[4-(dimethylamino)anilino]-2-pyridinyl]-4-methylbenzenesulfonamide?
The canonical SMILES for N-[5-[4-(dimethylamino)anilino]-2-pyridinyl]-4-methylbenzenesulfonamide is Cc1ccc(S(=O)(=O)Nc2ccc(Nc3ccc(N(C)C)cc3)cn2)cc1.
What is the InChIKey of N-[5-[4-(dimethylamino)anilino]-2-pyridinyl]-4-methylbenzenesulfonamide?
The InChIKey is CZWOJNUFWURFAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O2S/c1-15-4-11-19(12-5-15)27(25,26)23-20-13-8-17(14-21-20)22-16-6-9-18(10-7-16)24(2)3/h4-14,22H,1-3H3,(H,21,23).
What are the key properties of N-[5-[4-(dimethylamino)anilino]-2-pyridinyl]-4-methylbenzenesulfonamide?
N-[5-[4-(dimethylamino)anilino]-2-pyridinyl]-4-methylbenzenesulfonamide has a molecular weight of 382.49 g/mol, XLogP of 4.00, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[4-(dimethylamino)anilino]-2-pyridinyl]-4-methylbenzenesulfonamide is sourced from PubChem (CID 113035556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).