methyl N-[3-[(1-methylpyrazol-4-yl)sulfonylcarbamoyl]phenyl]carbamate

C13H14N4O5S — CID 56801259

IUPACmethyl N-[3-[(1-methylpyrazol-4-yl)sulfonylcarbamoyl]phenyl]carbamate
SMILESCOC(=O)Nc1cccc(C(=O)NS(=O)(=O)c2cnn(C)c2)c1
InChIInChI=1S/C13H14N4O5S/c1-17-8-11(7-14-17)23(20,21)16-12(18)9-4-3-5-10(6-9)15-13(19)22-2/h3-8H,1-2H3,(H,15,19)(H,16,18)
InChIKeyOFVDOPPCVCSJCL-UHFFFAOYSA-N
MW338.35 g/mol
LogP0.72
Rot. Bonds4

About methyl N-[3-[(1-methylpyrazol-4-yl)sulfonylcarbamoyl]phenyl]carbamate

methyl N-[3-[(1-methylpyrazol-4-yl)sulfonylcarbamoyl]phenyl]carbamate (PubChem CID 56801259) has the molecular formula C13H14N4O5S and a molecular weight of 338.35 g/mol. Its IUPAC name is methyl N-[3-[(1-methylpyrazol-4-yl)sulfonylcarbamoyl]phenyl]carbamate.

Molecular Properties

Compound Namemethyl N-[3-[(1-methylpyrazol-4-yl)sulfonylcarbamoyl]phenyl]carbamate
PubChem CID56801259
Molecular FormulaC13H14N4O5S
Molecular Weight338.35 g/mol
Exact Mass338.07
IUPAC Namemethyl N-[3-[(1-methylpyrazol-4-yl)sulfonylcarbamoyl]phenyl]carbamate
SMILESCOC(=O)Nc1cccc(C(=O)NS(=O)(=O)c2cnn(C)c2)c1
InChIInChI=1S/C13H14N4O5S/c1-17-8-11(7-14-17)23(20,21)16-12(18)9-4-3-5-10(6-9)15-13(19)22-2/h3-8H,1-2H3,(H,15,19)(H,16,18)
InChIKeyOFVDOPPCVCSJCL-UHFFFAOYSA-N
XLogP0.72
TPSA119.39 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.35
LogP ≤ 50.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze methyl N-[3-[(1-methylpyrazol-4-yl)sulfonylcarbamoyl]phenyl]carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl N-[3-(1-methylpyrazol-4-yl)phenyl]carbamate
CID 110477766
N,N-diethyl-3-[(1-methylpyrazol-4-yl)sulfonylamino]benzamide
CID 86980323
1-methyl-N-[3-(methylcarbamoyl)phenyl]pyrazole-4-carboxamide
CID 18146246
N-(1-methylpyrazol-4-yl)sulfonyl-1-propan-2-ylpyrrole-2-carboxamide
CID 99819528
2-[3-[(1-methylpyrazol-4-yl)sulfonylamino]phenoxy]acetic acid
CID 61058726
1-[3-[(1-methylpyrazol-4-yl)amino]phenyl]ethanone
CID 82536724
(Z)-3-(1-methylindol-3-yl)-N-(1-methylpyrazol-4-yl)sulfonylprop-2-enamide
CID 97377835
methyl 3-[[(E)-3-(1-methylpyrazol-4-yl)prop-2-enoyl]amino]benzoate
CID 29112038
3-[(4-methylphenyl)sulfonylamino]-N-[(1-methylpyrazol-4-yl)methyl]benzamide
CID 154630397
N-[3-(ethylaminomethyl)phenyl]-2-[(1-methylpyrazol-4-yl)sulfonylamino]propanamide
CID 119438590
tert-butyl N-[3-[[4-(methoxycarbonylamino)phenyl]carbamoyl]phenyl]carbamate
CID 55804923
2-methyl-N-(1-methylpyrazol-4-yl)sulfonyl-1,3-thiazole-5-carboxamide
CID 56826032

Frequently Asked Questions

What is the IUPAC name of methyl N-[3-[(1-methylpyrazol-4-yl)sulfonylcarbamoyl]phenyl]carbamate?
The IUPAC name of methyl N-[3-[(1-methylpyrazol-4-yl)sulfonylcarbamoyl]phenyl]carbamate (CID 56801259) is methyl N-[3-[(1-methylpyrazol-4-yl)sulfonylcarbamoyl]phenyl]carbamate.
What is the SMILES notation for methyl N-[3-[(1-methylpyrazol-4-yl)sulfonylcarbamoyl]phenyl]carbamate?
The canonical SMILES for methyl N-[3-[(1-methylpyrazol-4-yl)sulfonylcarbamoyl]phenyl]carbamate is COC(=O)Nc1cccc(C(=O)NS(=O)(=O)c2cnn(C)c2)c1.
What is the InChIKey of methyl N-[3-[(1-methylpyrazol-4-yl)sulfonylcarbamoyl]phenyl]carbamate?
The InChIKey is OFVDOPPCVCSJCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4O5S/c1-17-8-11(7-14-17)23(20,21)16-12(18)9-4-3-5-10(6-9)15-13(19)22-2/h3-8H,1-2H3,(H,15,19)(H,16,18).
What are the key properties of methyl N-[3-[(1-methylpyrazol-4-yl)sulfonylcarbamoyl]phenyl]carbamate?
methyl N-[3-[(1-methylpyrazol-4-yl)sulfonylcarbamoyl]phenyl]carbamate has a molecular weight of 338.35 g/mol, XLogP of 0.72, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[3-[(1-methylpyrazol-4-yl)sulfonylcarbamoyl]phenyl]carbamate is sourced from PubChem (CID 56801259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).