N-[(6-methoxy-3-pyridinyl)methyl]-4-(methylamino)benzenesulfonamide

C14H17N3O3S — CID 62989325

IUPACN-[(6-methoxy-3-pyridinyl)methyl]-4-(methylamino)benzenesulfonamide
SMILESCNc1ccc(S(=O)(=O)NCc2ccc(OC)nc2)cc1
InChIInChI=1S/C14H17N3O3S/c1-15-12-4-6-13(7-5-12)21(18,19)17-10-11-3-8-14(20-2)16-9-11/h3-9,15,17H,10H2,1-2H3
InChIKeyNJSYTZXNIGYVLH-UHFFFAOYSA-N
MW307.38 g/mol
LogP1.61
Rot. Bonds6

About N-[(6-methoxy-3-pyridinyl)methyl]-4-(methylamino)benzenesulfonamide

N-[(6-methoxy-3-pyridinyl)methyl]-4-(methylamino)benzenesulfonamide (PubChem CID 62989325) has the molecular formula C14H17N3O3S and a molecular weight of 307.38 g/mol. Its IUPAC name is N-[(6-methoxy-3-pyridinyl)methyl]-4-(methylamino)benzenesulfonamide.

Molecular Properties

Compound NameN-[(6-methoxy-3-pyridinyl)methyl]-4-(methylamino)benzenesulfonamide
PubChem CID62989325
Molecular FormulaC14H17N3O3S
Molecular Weight307.38 g/mol
Exact Mass307.10
IUPAC NameN-[(6-methoxy-3-pyridinyl)methyl]-4-(methylamino)benzenesulfonamide
SMILESCNc1ccc(S(=O)(=O)NCc2ccc(OC)nc2)cc1
InChIInChI=1S/C14H17N3O3S/c1-15-12-4-6-13(7-5-12)21(18,19)17-10-11-3-8-14(20-2)16-9-11/h3-9,15,17H,10H2,1-2H3
InChIKeyNJSYTZXNIGYVLH-UHFFFAOYSA-N
XLogP1.61
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.38
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(6-methoxy-3-pyridinyl)methyl]-4-propylbenzenesulfonamide
CID 51320441
6-hydrazinyl-N-[(6-methoxy-3-pyridinyl)methyl]pyridine-3-sulfonamide
CID 62990289
3,4-dichloro-N-[(6-methoxy-3-pyridinyl)methyl]benzenesulfonamide
CID 134036423
N-[(4-methoxyphenyl)methyl]-4-(methylamino)benzenesulfonamide
CID 43332057
4-bromo-N-[(6-methoxy-3-pyridinyl)methyl]-3-methylbenzenesulfonamide
CID 51320453
2-bromo-N-[(6-methoxy-3-pyridinyl)methyl]benzenesulfonamide
CID 51320454
5-cyano-N-[(6-methoxy-3-pyridinyl)methyl]thiophene-2-sulfonamide
CID 106268154
N-[(6-methoxy-3-pyridinyl)methyl]-5-(methylaminomethyl)thiophene-2-sulfonamide
CID 106000806
2-chloro-N-[(6-methoxy-3-pyridinyl)methyl]-1,3-thiazole-5-sulfonamide
CID 61249590
2-chloro-N-[(6-methoxy-3-pyridinyl)methyl]ethanesulfonamide
CID 107651707
4-amino-N-[(6-methoxy-3-pyridinyl)methyl]thiophene-2-sulfonamide
CID 62990765
N-[(2-methoxy-4-pyridinyl)methyl]-6-(methylamino)pyridine-3-sulfonamide
CID 62989683

Frequently Asked Questions

What is the IUPAC name of N-[(6-methoxy-3-pyridinyl)methyl]-4-(methylamino)benzenesulfonamide?
The IUPAC name of N-[(6-methoxy-3-pyridinyl)methyl]-4-(methylamino)benzenesulfonamide (CID 62989325) is N-[(6-methoxy-3-pyridinyl)methyl]-4-(methylamino)benzenesulfonamide.
What is the SMILES notation for N-[(6-methoxy-3-pyridinyl)methyl]-4-(methylamino)benzenesulfonamide?
The canonical SMILES for N-[(6-methoxy-3-pyridinyl)methyl]-4-(methylamino)benzenesulfonamide is CNc1ccc(S(=O)(=O)NCc2ccc(OC)nc2)cc1.
What is the InChIKey of N-[(6-methoxy-3-pyridinyl)methyl]-4-(methylamino)benzenesulfonamide?
The InChIKey is NJSYTZXNIGYVLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O3S/c1-15-12-4-6-13(7-5-12)21(18,19)17-10-11-3-8-14(20-2)16-9-11/h3-9,15,17H,10H2,1-2H3.
What are the key properties of N-[(6-methoxy-3-pyridinyl)methyl]-4-(methylamino)benzenesulfonamide?
N-[(6-methoxy-3-pyridinyl)methyl]-4-(methylamino)benzenesulfonamide has a molecular weight of 307.38 g/mol, XLogP of 1.61, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-methoxy-3-pyridinyl)methyl]-4-(methylamino)benzenesulfonamide is sourced from PubChem (CID 62989325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).