5-(dimethylamino)-N-[(3,5-dimethyl-1-propylpyrazol-4-yl)methyl]-N-methylnaphthalene-1-sulfonamide

C22H30N4O2S — CID 153326547

IUPAC5-(dimethylamino)-N-[(3,5-dimethyl-1-propylpyrazol-4-yl)methyl]-N-methylnaphthalene-1-sulfonamide
SMILESCCCn1nc(C)c(CN(C)S(=O)(=O)c2cccc3c(N(C)C)cccc23)c1C
InChIInChI=1S/C22H30N4O2S/c1-7-14-26-17(3)20(16(2)23-26)15-25(6)29(27,28)22-13-9-10-18-19(22)11-8-12-21(18)24(4)5/h8-13H,7,14-15H2,1-6H3
InChIKeyNXJIMVHFABTYIF-UHFFFAOYSA-N
MW414.58 g/mol
LogP3.95
Rot. Bonds7

About 5-(dimethylamino)-N-[(3,5-dimethyl-1-propylpyrazol-4-yl)methyl]-N-methylnaphthalene-1-sulfonamide

5-(dimethylamino)-N-[(3,5-dimethyl-1-propylpyrazol-4-yl)methyl]-N-methylnaphthalene-1-sulfonamide (PubChem CID 153326547) has the molecular formula C22H30N4O2S and a molecular weight of 414.58 g/mol. Its IUPAC name is 5-(dimethylamino)-N-[(3,5-dimethyl-1-propylpyrazol-4-yl)methyl]-N-methylnaphthalene-1-sulfonamide.

Molecular Properties

Compound Name5-(dimethylamino)-N-[(3,5-dimethyl-1-propylpyrazol-4-yl)methyl]-N-methylnaphthalene-1-sulfonamide
PubChem CID153326547
Molecular FormulaC22H30N4O2S
Molecular Weight414.58 g/mol
Exact Mass414.21
IUPAC Name5-(dimethylamino)-N-[(3,5-dimethyl-1-propylpyrazol-4-yl)methyl]-N-methylnaphthalene-1-sulfonamide
SMILESCCCn1nc(C)c(CN(C)S(=O)(=O)c2cccc3c(N(C)C)cccc23)c1C
InChIInChI=1S/C22H30N4O2S/c1-7-14-26-17(3)20(16(2)23-26)15-25(6)29(27,28)22-13-9-10-18-19(22)11-8-12-21(18)24(4)5/h8-13H,7,14-15H2,1-6H3
InChIKeyNXJIMVHFABTYIF-UHFFFAOYSA-N
XLogP3.95
TPSA58.44 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.58
LogP ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-N,5-N-dimethyl-1-N,5-N-dipropylnaphthalene-1,5-disulfonamide
CID 54492944
2-chloro-N-methyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]benzenesulfonamide
CID 151990254
N-methyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]quinoline-8-sulfonamide
CID 831765
N-[(1,5-dimethyl-3-propan-2-ylpyrazol-4-yl)methyl]-N-methylnaphthalene-1-sulfonamide
CID 153326537
5-(dimethylamino)-N-[(3-ethyl-1,5-dimethylpyrazol-4-yl)methyl]-N-methylnaphthalene-2-sulfonamide
CID 153326589
butyl 5-(dimethylamino)naphthalene-1-sulfonate
CID 46854645
N-diazo-5-(dimethylamino)naphthalene-1-sulfonamide;4-(dimethylamino)-N-ethyl-N-methylnaphthalene-1-sulfonamide;propane
CID 157227352
1-[5-(dimethylamino)naphthalen-1-yl]sulfonylpentane-1,1-diamine
CID 140980037
5-(dimethylamino)-N-(2-ethylpyrazol-3-yl)naphthalene-1-sulfonamide
CID 74226130
2-[[5-(dimethylamino)naphthalen-1-yl]sulfonyl-methylamino]ethyl N-aminocarbamate
CID 70810373
5-(dimethylamino)-N,N-bis(pyridin-2-ylmethyl)naphthalene-1-sulfonamide
CID 102189253
ethyl 5-(dimethylamino)naphthalene-1-sulfonate
CID 14290422

Frequently Asked Questions

What is the IUPAC name of 5-(dimethylamino)-N-[(3,5-dimethyl-1-propylpyrazol-4-yl)methyl]-N-methylnaphthalene-1-sulfonamide?
The IUPAC name of 5-(dimethylamino)-N-[(3,5-dimethyl-1-propylpyrazol-4-yl)methyl]-N-methylnaphthalene-1-sulfonamide (CID 153326547) is 5-(dimethylamino)-N-[(3,5-dimethyl-1-propylpyrazol-4-yl)methyl]-N-methylnaphthalene-1-sulfonamide.
What is the SMILES notation for 5-(dimethylamino)-N-[(3,5-dimethyl-1-propylpyrazol-4-yl)methyl]-N-methylnaphthalene-1-sulfonamide?
The canonical SMILES for 5-(dimethylamino)-N-[(3,5-dimethyl-1-propylpyrazol-4-yl)methyl]-N-methylnaphthalene-1-sulfonamide is CCCn1nc(C)c(CN(C)S(=O)(=O)c2cccc3c(N(C)C)cccc23)c1C.
What is the InChIKey of 5-(dimethylamino)-N-[(3,5-dimethyl-1-propylpyrazol-4-yl)methyl]-N-methylnaphthalene-1-sulfonamide?
The InChIKey is NXJIMVHFABTYIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N4O2S/c1-7-14-26-17(3)20(16(2)23-26)15-25(6)29(27,28)22-13-9-10-18-19(22)11-8-12-21(18)24(4)5/h8-13H,7,14-15H2,1-6H3.
What are the key properties of 5-(dimethylamino)-N-[(3,5-dimethyl-1-propylpyrazol-4-yl)methyl]-N-methylnaphthalene-1-sulfonamide?
5-(dimethylamino)-N-[(3,5-dimethyl-1-propylpyrazol-4-yl)methyl]-N-methylnaphthalene-1-sulfonamide has a molecular weight of 414.58 g/mol, XLogP of 3.95, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(dimethylamino)-N-[(3,5-dimethyl-1-propylpyrazol-4-yl)methyl]-N-methylnaphthalene-1-sulfonamide is sourced from PubChem (CID 153326547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).