N-[6-[4-(diethylamino)anilino]-3-pyridinyl]methanesulfonamide

C16H22N4O2S — CID 113020978

IUPACN-[6-[4-(diethylamino)anilino]-3-pyridinyl]methanesulfonamide
SMILESCCN(CC)c1ccc(Nc2ccc(NS(C)(=O)=O)cn2)cc1
InChIInChI=1S/C16H22N4O2S/c1-4-20(5-2)15-9-6-13(7-10-15)18-16-11-8-14(12-17-16)19-23(3,21)22/h6-12,19H,4-5H2,1-3H3,(H,17,18)
InChIKeyLZRLEBIRTBWEAV-UHFFFAOYSA-N
MW334.45 g/mol
LogP3.04
Rot. Bonds7

About N-[6-[4-(diethylamino)anilino]-3-pyridinyl]methanesulfonamide

N-[6-[4-(diethylamino)anilino]-3-pyridinyl]methanesulfonamide (PubChem CID 113020978) has the molecular formula C16H22N4O2S and a molecular weight of 334.45 g/mol. Its IUPAC name is N-[6-[4-(diethylamino)anilino]-3-pyridinyl]methanesulfonamide.

Molecular Properties

Compound NameN-[6-[4-(diethylamino)anilino]-3-pyridinyl]methanesulfonamide
PubChem CID113020978
Molecular FormulaC16H22N4O2S
Molecular Weight334.45 g/mol
Exact Mass334.15
IUPAC NameN-[6-[4-(diethylamino)anilino]-3-pyridinyl]methanesulfonamide
SMILESCCN(CC)c1ccc(Nc2ccc(NS(C)(=O)=O)cn2)cc1
InChIInChI=1S/C16H22N4O2S/c1-4-20(5-2)15-9-6-13(7-10-15)18-16-11-8-14(12-17-16)19-23(3,21)22/h6-12,19H,4-5H2,1-3H3,(H,17,18)
InChIKeyLZRLEBIRTBWEAV-UHFFFAOYSA-N
XLogP3.04
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.45
LogP ≤ 53.04
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-[4-(diethylamino)phenyl]methanesulfonamide;hydrochloride
CID 45050507
6-[4-(diethylamino)anilino]-N,N-diethylpyridine-3-carboxamide
CID 109160758
N-[6-[4-(diethylamino)anilino]-3-pyridinyl]-2-fluorobenzamide
CID 113020947
6-[4-(diethylamino)anilino]-N-(4-fluorophenyl)pyridine-3-carboxamide
CID 109163316
N-[4-(diethylamino)phenyl]-6-(4-methylanilino)pyridine-3-carboxamide
CID 109162272
N-[6-(4-bromoanilino)-3-pyridinyl]ethanesulfonamide
CID 113019236
N-[6-[4-(diethylamino)anilino]-3-pyridinyl]pyridine-3-carboxamide
CID 113020962
N-[6-[4-(diethylamino)anilino]-3-pyridinyl]-2-methoxybenzamide
CID 113020950
N-[6-(3-fluoroanilino)-3-pyridinyl]methanesulfonamide
CID 113021324
N-[5-[4-(dimethylamino)anilino]-2-pyridinyl]ethanesulfonamide
CID 113035551
N-[6-[4-(4-methylpiperidin-1-yl)anilino]-3-pyridinyl]methanesulfonamide
CID 113021097
tert-butyl N-[5-[4-(diethylamino)anilino]-2-pyridinyl]carbamate
CID 113035609

Frequently Asked Questions

What is the IUPAC name of N-[6-[4-(diethylamino)anilino]-3-pyridinyl]methanesulfonamide?
The IUPAC name of N-[6-[4-(diethylamino)anilino]-3-pyridinyl]methanesulfonamide (CID 113020978) is N-[6-[4-(diethylamino)anilino]-3-pyridinyl]methanesulfonamide.
What is the SMILES notation for N-[6-[4-(diethylamino)anilino]-3-pyridinyl]methanesulfonamide?
The canonical SMILES for N-[6-[4-(diethylamino)anilino]-3-pyridinyl]methanesulfonamide is CCN(CC)c1ccc(Nc2ccc(NS(C)(=O)=O)cn2)cc1.
What is the InChIKey of N-[6-[4-(diethylamino)anilino]-3-pyridinyl]methanesulfonamide?
The InChIKey is LZRLEBIRTBWEAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O2S/c1-4-20(5-2)15-9-6-13(7-10-15)18-16-11-8-14(12-17-16)19-23(3,21)22/h6-12,19H,4-5H2,1-3H3,(H,17,18).
What are the key properties of N-[6-[4-(diethylamino)anilino]-3-pyridinyl]methanesulfonamide?
N-[6-[4-(diethylamino)anilino]-3-pyridinyl]methanesulfonamide has a molecular weight of 334.45 g/mol, XLogP of 3.04, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[4-(diethylamino)anilino]-3-pyridinyl]methanesulfonamide is sourced from PubChem (CID 113020978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).