1-ethyl-N-[4-[(2-methoxyphenyl)sulfamoyl]phenyl]-5-methylpyrazole-4-sulfonamide

C19H22N4O5S2 — CID 22202841

IUPAC1-ethyl-N-[4-[(2-methoxyphenyl)sulfamoyl]phenyl]-5-methylpyrazole-4-sulfonamide
SMILESCCn1ncc(S(=O)(=O)Nc2ccc(S(=O)(=O)Nc3ccccc3OC)cc2)c1C
InChIInChI=1S/C19H22N4O5S2/c1-4-23-14(2)19(13-20-23)30(26,27)21-15-9-11-16(12-10-15)29(24,25)22-17-7-5-6-8-18(17)28-3/h5-13,21-22H,4H2,1-3H3
InChIKeySDNOZWHHYLVGHZ-UHFFFAOYSA-N
MW450.54 g/mol
LogP2.82
Rot. Bonds8

About 1-ethyl-N-[4-[(2-methoxyphenyl)sulfamoyl]phenyl]-5-methylpyrazole-4-sulfonamide

1-ethyl-N-[4-[(2-methoxyphenyl)sulfamoyl]phenyl]-5-methylpyrazole-4-sulfonamide (PubChem CID 22202841) has the molecular formula C19H22N4O5S2 and a molecular weight of 450.54 g/mol. Its IUPAC name is 1-ethyl-N-[4-[(2-methoxyphenyl)sulfamoyl]phenyl]-5-methylpyrazole-4-sulfonamide.

Molecular Properties

Compound Name1-ethyl-N-[4-[(2-methoxyphenyl)sulfamoyl]phenyl]-5-methylpyrazole-4-sulfonamide
PubChem CID22202841
Molecular FormulaC19H22N4O5S2
Molecular Weight450.54 g/mol
Exact Mass450.10
IUPAC Name1-ethyl-N-[4-[(2-methoxyphenyl)sulfamoyl]phenyl]-5-methylpyrazole-4-sulfonamide
SMILESCCn1ncc(S(=O)(=O)Nc2ccc(S(=O)(=O)Nc3ccccc3OC)cc2)c1C
InChIInChI=1S/C19H22N4O5S2/c1-4-23-14(2)19(13-20-23)30(26,27)21-15-9-11-16(12-10-15)29(24,25)22-17-7-5-6-8-18(17)28-3/h5-13,21-22H,4H2,1-3H3
InChIKeySDNOZWHHYLVGHZ-UHFFFAOYSA-N
XLogP2.82
TPSA119.39 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.54
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

3-(1-ethyl-5-methylpyrazol-4-yl)-N-[4-[(2-methoxyphenyl)sulfamoyl]phenyl]prop-2-enamide
CID 3539100
4-[(4-ethoxyphenyl)sulfonylamino]-N-(2-methoxyphenyl)benzenesulfonamide
CID 22202817
N-[4-(azepan-1-ylsulfonyl)phenyl]-1-ethyl-5-methylpyrazole-4-sulfonamide
CID 19684585
methyl 2-[(1-ethyl-5-methylpyrazol-4-yl)sulfonylamino]-4,5-dimethoxybenzoate
CID 22774347
N-(2-methoxyphenyl)-4-[(2-methylpropan-2-yl)oxy]benzenesulfonamide
CID 110757761
N-(3,4-difluorophenyl)-1-ethyl-5-methylpyrazole-4-sulfonamide
CID 22773468
N-(1-ethyl-5-methylpyrazol-4-yl)-3,4-dimethylbenzenesulfonamide
CID 22209278
methyl N-[4-[(2-methoxyphenyl)sulfamoyl]phenyl]carbamate
CID 678083
N-[4-[(1-ethyl-5-methylpyrazol-4-yl)sulfamoyl]phenyl]acetamide
CID 22209298
4-(bromomethyl)-N-(2-methoxyphenyl)benzenesulfonamide
CID 65481190
N-[4-[(1-ethyl-5-methylpyrazol-4-yl)sulfonylamino]phenyl]-N-methylacetamide
CID 6471033
4-methoxy-3-methyl-N-[2-(phenylsulfamoyl)phenyl]benzenesulfonamide
CID 75493365

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-N-[4-[(2-methoxyphenyl)sulfamoyl]phenyl]-5-methylpyrazole-4-sulfonamide?
The IUPAC name of 1-ethyl-N-[4-[(2-methoxyphenyl)sulfamoyl]phenyl]-5-methylpyrazole-4-sulfonamide (CID 22202841) is 1-ethyl-N-[4-[(2-methoxyphenyl)sulfamoyl]phenyl]-5-methylpyrazole-4-sulfonamide.
What is the SMILES notation for 1-ethyl-N-[4-[(2-methoxyphenyl)sulfamoyl]phenyl]-5-methylpyrazole-4-sulfonamide?
The canonical SMILES for 1-ethyl-N-[4-[(2-methoxyphenyl)sulfamoyl]phenyl]-5-methylpyrazole-4-sulfonamide is CCn1ncc(S(=O)(=O)Nc2ccc(S(=O)(=O)Nc3ccccc3OC)cc2)c1C.
What is the InChIKey of 1-ethyl-N-[4-[(2-methoxyphenyl)sulfamoyl]phenyl]-5-methylpyrazole-4-sulfonamide?
The InChIKey is SDNOZWHHYLVGHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O5S2/c1-4-23-14(2)19(13-20-23)30(26,27)21-15-9-11-16(12-10-15)29(24,25)22-17-7-5-6-8-18(17)28-3/h5-13,21-22H,4H2,1-3H3.
What are the key properties of 1-ethyl-N-[4-[(2-methoxyphenyl)sulfamoyl]phenyl]-5-methylpyrazole-4-sulfonamide?
1-ethyl-N-[4-[(2-methoxyphenyl)sulfamoyl]phenyl]-5-methylpyrazole-4-sulfonamide has a molecular weight of 450.54 g/mol, XLogP of 2.82, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-N-[4-[(2-methoxyphenyl)sulfamoyl]phenyl]-5-methylpyrazole-4-sulfonamide is sourced from PubChem (CID 22202841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).