1-[4-(benzenesulfonamido)phenyl]-3-(1H-pyrazol-4-ylmethyl)urea

C17H17N5O3S — CID 135222882

IUPAC1-[4-(benzenesulfonamido)phenyl]-3-(1H-pyrazol-4-ylmethyl)urea
SMILESO=C(NCc1cn[nH]c1)Nc1ccc(NS(=O)(=O)c2ccccc2)cc1
InChIInChI=1S/C17H17N5O3S/c23-17(18-10-13-11-19-20-12-13)21-14-6-8-15(9-7-14)22-26(24,25)16-4-2-1-3-5-16/h1-9,11-12,22H,10H2,(H,19,20)(H2,18,21,23)
InChIKeyCMXRCQJWPVCHCC-UHFFFAOYSA-N
MW371.42 g/mol
LogP2.53
Rot. Bonds6

About 1-[4-(benzenesulfonamido)phenyl]-3-(1H-pyrazol-4-ylmethyl)urea

1-[4-(benzenesulfonamido)phenyl]-3-(1H-pyrazol-4-ylmethyl)urea (PubChem CID 135222882) has the molecular formula C17H17N5O3S and a molecular weight of 371.42 g/mol. Its IUPAC name is 1-[4-(benzenesulfonamido)phenyl]-3-(1H-pyrazol-4-ylmethyl)urea.

Molecular Properties

Compound Name1-[4-(benzenesulfonamido)phenyl]-3-(1H-pyrazol-4-ylmethyl)urea
PubChem CID135222882
Molecular FormulaC17H17N5O3S
Molecular Weight371.42 g/mol
Exact Mass371.11
IUPAC Name1-[4-(benzenesulfonamido)phenyl]-3-(1H-pyrazol-4-ylmethyl)urea
SMILESO=C(NCc1cn[nH]c1)Nc1ccc(NS(=O)(=O)c2ccccc2)cc1
InChIInChI=1S/C17H17N5O3S/c23-17(18-10-13-11-19-20-12-13)21-14-6-8-15(9-7-14)22-26(24,25)16-4-2-1-3-5-16/h1-9,11-12,22H,10H2,(H,19,20)(H2,18,21,23)
InChIKeyCMXRCQJWPVCHCC-UHFFFAOYSA-N
XLogP2.53
TPSA115.98 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.42
LogP ≤ 52.53
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-(benzenesulfonyl)phenyl]-3-(1H-pyrazol-4-ylmethyl)urea
CID 135223385
Nampt activator-2
CID 135223401
US11452717, Example 373
CID 135222540
US11452717, Example 380
CID 135223460
US11452717, Example 377
CID 135231149
1-(1H-pyrazol-4-ylmethyl)-3-[4-[3-(trifluoromethyl)phenyl]sulfonylphenyl]urea
CID 135231329
1-[4-(benzenesulfonyl)phenyl]-3-(1H-pyrazol-3-ylmethyl)urea
CID 66610553
US11452717, Example 599
CID 135222681
US11452717, Example 308
CID 135223331
US11452717, Example 309
CID 135223436
US11452717, Example 342
CID 135224500
1-[3-(4-Methylpyrazol-1-yl)propyl]-3-[2-(phenylsulfamoyl)ethyl]urea
CID 47090322

Frequently Asked Questions

What is the IUPAC name of 1-[4-(benzenesulfonamido)phenyl]-3-(1H-pyrazol-4-ylmethyl)urea?
The IUPAC name of 1-[4-(benzenesulfonamido)phenyl]-3-(1H-pyrazol-4-ylmethyl)urea (CID 135222882) is 1-[4-(benzenesulfonamido)phenyl]-3-(1H-pyrazol-4-ylmethyl)urea.
What is the SMILES notation for 1-[4-(benzenesulfonamido)phenyl]-3-(1H-pyrazol-4-ylmethyl)urea?
The canonical SMILES for 1-[4-(benzenesulfonamido)phenyl]-3-(1H-pyrazol-4-ylmethyl)urea is O=C(NCc1cn[nH]c1)Nc1ccc(NS(=O)(=O)c2ccccc2)cc1.
What is the InChIKey of 1-[4-(benzenesulfonamido)phenyl]-3-(1H-pyrazol-4-ylmethyl)urea?
The InChIKey is CMXRCQJWPVCHCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N5O3S/c23-17(18-10-13-11-19-20-12-13)21-14-6-8-15(9-7-14)22-26(24,25)16-4-2-1-3-5-16/h1-9,11-12,22H,10H2,(H,19,20)(H2,18,21,23).
What are the key properties of 1-[4-(benzenesulfonamido)phenyl]-3-(1H-pyrazol-4-ylmethyl)urea?
1-[4-(benzenesulfonamido)phenyl]-3-(1H-pyrazol-4-ylmethyl)urea has a molecular weight of 371.42 g/mol, XLogP of 2.53, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(benzenesulfonamido)phenyl]-3-(1H-pyrazol-4-ylmethyl)urea is sourced from PubChem (CID 135222882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).