1-methyl-3-[4-[(5-methyl-1H-pyrazol-4-yl)sulfonylamino]phenyl]urea

C12H15N5O3S — CID 61275594

IUPAC1-methyl-3-[4-[(5-methyl-1H-pyrazol-4-yl)sulfonylamino]phenyl]urea
SMILESCNC(=O)Nc1ccc(NS(=O)(=O)c2cn[nH]c2C)cc1
InChIInChI=1S/C12H15N5O3S/c1-8-11(7-14-16-8)21(19,20)17-10-5-3-9(4-6-10)15-12(18)13-2/h3-7,17H,1-2H3,(H,14,16)(H2,13,15,18)
InChIKeySDTNHWQKYPDEGA-UHFFFAOYSA-N
MW309.35 g/mol
LogP1.27
Rot. Bonds4

About 1-methyl-3-[4-[(5-methyl-1H-pyrazol-4-yl)sulfonylamino]phenyl]urea

1-methyl-3-[4-[(5-methyl-1H-pyrazol-4-yl)sulfonylamino]phenyl]urea (PubChem CID 61275594) has the molecular formula C12H15N5O3S and a molecular weight of 309.35 g/mol. Its IUPAC name is 1-methyl-3-[4-[(5-methyl-1H-pyrazol-4-yl)sulfonylamino]phenyl]urea.

Molecular Properties

Compound Name1-methyl-3-[4-[(5-methyl-1H-pyrazol-4-yl)sulfonylamino]phenyl]urea
PubChem CID61275594
Molecular FormulaC12H15N5O3S
Molecular Weight309.35 g/mol
Exact Mass309.09
IUPAC Name1-methyl-3-[4-[(5-methyl-1H-pyrazol-4-yl)sulfonylamino]phenyl]urea
SMILESCNC(=O)Nc1ccc(NS(=O)(=O)c2cn[nH]c2C)cc1
InChIInChI=1S/C12H15N5O3S/c1-8-11(7-14-16-8)21(19,20)17-10-5-3-9(4-6-10)15-12(18)13-2/h3-7,17H,1-2H3,(H,14,16)(H2,13,15,18)
InChIKeySDTNHWQKYPDEGA-UHFFFAOYSA-N
XLogP1.27
TPSA115.98 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.35
LogP ≤ 51.27
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

1-methyl-3-[4-(1H-pyrazol-4-ylsulfonylamino)phenyl]urea
CID 47364024
N-(4-amino-3-methylphenyl)-5-methyl-1H-pyrazole-4-sulfonamide
CID 54944574
5-methyl-N-(4-pentylphenyl)-1H-pyrazole-4-sulfonamide
CID 61249293
N-(1H-indazol-6-yl)-5-methyl-1H-pyrazole-4-sulfonamide
CID 61276176
N-[4-(1H-imidazol-5-yl)phenyl]-5-methyl-1H-pyrazole-4-sulfonamide
CID 61275740
1-[4-[(4-tert-butyl-2,6-dimethylphenyl)sulfonylamino]phenyl]-3-methylurea
CID 55521125
N-(3-chloro-4-fluorophenyl)-5-methyl-1H-pyrazole-4-sulfonamide
CID 54930110
N-(3-bromo-5-methylphenyl)-5-methyl-1H-pyrazole-4-sulfonamide
CID 104937771
N-[4-fluoro-3-(trifluoromethyl)phenyl]-5-methyl-1H-pyrazole-4-sulfonamide
CID 61228449
3-[(5-methyl-1H-pyrazol-4-yl)sulfonylamino]benzenecarbothioamide
CID 54930241
1,3-bis[4-[(2,5-dimethylphenyl)sulfonylamino]phenyl]urea
CID 170548873
(2S)-2-hydroxy-3-[(5-methyl-1H-pyrazol-4-yl)sulfonylamino]propanoic acid
CID 104936012

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-[4-[(5-methyl-1H-pyrazol-4-yl)sulfonylamino]phenyl]urea?
The IUPAC name of 1-methyl-3-[4-[(5-methyl-1H-pyrazol-4-yl)sulfonylamino]phenyl]urea (CID 61275594) is 1-methyl-3-[4-[(5-methyl-1H-pyrazol-4-yl)sulfonylamino]phenyl]urea.
What is the SMILES notation for 1-methyl-3-[4-[(5-methyl-1H-pyrazol-4-yl)sulfonylamino]phenyl]urea?
The canonical SMILES for 1-methyl-3-[4-[(5-methyl-1H-pyrazol-4-yl)sulfonylamino]phenyl]urea is CNC(=O)Nc1ccc(NS(=O)(=O)c2cn[nH]c2C)cc1.
What is the InChIKey of 1-methyl-3-[4-[(5-methyl-1H-pyrazol-4-yl)sulfonylamino]phenyl]urea?
The InChIKey is SDTNHWQKYPDEGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N5O3S/c1-8-11(7-14-16-8)21(19,20)17-10-5-3-9(4-6-10)15-12(18)13-2/h3-7,17H,1-2H3,(H,14,16)(H2,13,15,18).
What are the key properties of 1-methyl-3-[4-[(5-methyl-1H-pyrazol-4-yl)sulfonylamino]phenyl]urea?
1-methyl-3-[4-[(5-methyl-1H-pyrazol-4-yl)sulfonylamino]phenyl]urea has a molecular weight of 309.35 g/mol, XLogP of 1.27, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-[4-[(5-methyl-1H-pyrazol-4-yl)sulfonylamino]phenyl]urea is sourced from PubChem (CID 61275594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).