N-[(1-methyl-5-pyridin-4-ylpyrazol-3-yl)methyl]naphthalene-1-sulfonamide

C20H18N4O2S — CID 90555158

IUPACN-[(1-methyl-5-pyridin-4-ylpyrazol-3-yl)methyl]naphthalene-1-sulfonamide
SMILESCn1nc(CNS(=O)(=O)c2cccc3ccccc23)cc1-c1ccncc1
InChIInChI=1S/C20H18N4O2S/c1-24-19(16-9-11-21-12-10-16)13-17(23-24)14-22-27(25,26)20-8-4-6-15-5-2-3-7-18(15)20/h2-13,22H,14H2,1H3
InChIKeyJCMWVVMNUNHBOS-UHFFFAOYSA-N
MW378.46 g/mol
LogP3.11
Rot. Bonds5

About N-[(1-methyl-5-pyridin-4-ylpyrazol-3-yl)methyl]naphthalene-1-sulfonamide

N-[(1-methyl-5-pyridin-4-ylpyrazol-3-yl)methyl]naphthalene-1-sulfonamide (PubChem CID 90555158) has the molecular formula C20H18N4O2S and a molecular weight of 378.46 g/mol. Its IUPAC name is N-[(1-methyl-5-pyridin-4-ylpyrazol-3-yl)methyl]naphthalene-1-sulfonamide.

Molecular Properties

Compound NameN-[(1-methyl-5-pyridin-4-ylpyrazol-3-yl)methyl]naphthalene-1-sulfonamide
PubChem CID90555158
Molecular FormulaC20H18N4O2S
Molecular Weight378.46 g/mol
Exact Mass378.12
IUPAC NameN-[(1-methyl-5-pyridin-4-ylpyrazol-3-yl)methyl]naphthalene-1-sulfonamide
SMILESCn1nc(CNS(=O)(=O)c2cccc3ccccc23)cc1-c1ccncc1
InChIInChI=1S/C20H18N4O2S/c1-24-19(16-9-11-21-12-10-16)13-17(23-24)14-22-27(25,26)20-8-4-6-15-5-2-3-7-18(15)20/h2-13,22H,14H2,1H3
InChIKeyJCMWVVMNUNHBOS-UHFFFAOYSA-N
XLogP3.11
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.46
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(naphthalene-1-sulfonyl)-N-(piperidin-4-ylmethyl)-1H-indazol-6-amine
CID 24771185
Naphthalene-1-sulfonic acid [1-(2-dimethylamino-ethyl)-1H-indol-4-yl]-amide
CID 11269402
2-phenyl-N-[6-(4-pyridin-3-yltriazol-1-yl)hexyl]benzenesulfonamide
CID 86305771
2-phenyl-N-[7-(4-pyridin-3-yltriazol-1-yl)heptyl]benzenesulfonamide
CID 86305818
2-phenyl-N-[8-(4-pyridin-3-yltriazol-1-yl)octyl]benzenesulfonamide
CID 86306021
4-[4-(1-Methyl-1H-pyrazol-4-yl)-phenyl]-isoquinoline-6-sulfonic acid amide
CID 118660675
2,3-dimethyl-4-[4-(5-pyridin-4-yl-1H-pyrazol-4-yl)phenyl]benzenesulfonamide
CID 166490564
2,3-dimethyl-4-[4-(5-methyl-3-pyridin-4-yl-1H-pyrazol-4-yl)phenyl]benzenesulfonamide
CID 166490568
3-[4-(5-pyridin-4-yl-1H-pyrazol-4-yl)phenyl]benzenesulfonamide
CID 166490570
3-[4-[5-(2-methyl-4-pyridinyl)-1H-pyrazol-4-yl]phenyl]benzenesulfonamide
CID 166490574
3-[4-(5-methyl-3-pyridin-4-yl-1H-pyrazol-4-yl)-2-propan-2-ylphenyl]benzenesulfonamide
CID 166490576
3-[4-[5-(2,6-dimethyl-4-pyridinyl)-1H-pyrazol-4-yl]phenyl]benzenesulfonamide
CID 166490584

Frequently Asked Questions

What is the IUPAC name of N-[(1-methyl-5-pyridin-4-ylpyrazol-3-yl)methyl]naphthalene-1-sulfonamide?
The IUPAC name of N-[(1-methyl-5-pyridin-4-ylpyrazol-3-yl)methyl]naphthalene-1-sulfonamide (CID 90555158) is N-[(1-methyl-5-pyridin-4-ylpyrazol-3-yl)methyl]naphthalene-1-sulfonamide.
What is the SMILES notation for N-[(1-methyl-5-pyridin-4-ylpyrazol-3-yl)methyl]naphthalene-1-sulfonamide?
The canonical SMILES for N-[(1-methyl-5-pyridin-4-ylpyrazol-3-yl)methyl]naphthalene-1-sulfonamide is Cn1nc(CNS(=O)(=O)c2cccc3ccccc23)cc1-c1ccncc1.
What is the InChIKey of N-[(1-methyl-5-pyridin-4-ylpyrazol-3-yl)methyl]naphthalene-1-sulfonamide?
The InChIKey is JCMWVVMNUNHBOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N4O2S/c1-24-19(16-9-11-21-12-10-16)13-17(23-24)14-22-27(25,26)20-8-4-6-15-5-2-3-7-18(15)20/h2-13,22H,14H2,1H3.
What are the key properties of N-[(1-methyl-5-pyridin-4-ylpyrazol-3-yl)methyl]naphthalene-1-sulfonamide?
N-[(1-methyl-5-pyridin-4-ylpyrazol-3-yl)methyl]naphthalene-1-sulfonamide has a molecular weight of 378.46 g/mol, XLogP of 3.11, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-methyl-5-pyridin-4-ylpyrazol-3-yl)methyl]naphthalene-1-sulfonamide is sourced from PubChem (CID 90555158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).