1-(benzenesulfonamido)-1-(2-bromophenyl)-3-(pyridin-3-ylmethyl)urea

C19H17BrN4O3S — CID 140758346

IUPAC1-(benzenesulfonamido)-1-(2-bromophenyl)-3-(pyridin-3-ylmethyl)urea
SMILESO=C(NCc1cccnc1)N(NS(=O)(=O)c1ccccc1)c1ccccc1Br
InChIInChI=1S/C19H17BrN4O3S/c20-17-10-4-5-11-18(17)24(19(25)22-14-15-7-6-12-21-13-15)23-28(26,27)16-8-2-1-3-9-16/h1-13,23H,14H2,(H,22,25)
InChIKeyAORMQRUOQRVGCW-UHFFFAOYSA-N
MW461.34 g/mol
LogP3.45
Rot. Bonds6

About 1-(benzenesulfonamido)-1-(2-bromophenyl)-3-(pyridin-3-ylmethyl)urea

1-(benzenesulfonamido)-1-(2-bromophenyl)-3-(pyridin-3-ylmethyl)urea (PubChem CID 140758346) has the molecular formula C19H17BrN4O3S and a molecular weight of 461.34 g/mol. Its IUPAC name is 1-(benzenesulfonamido)-1-(2-bromophenyl)-3-(pyridin-3-ylmethyl)urea.

Molecular Properties

Compound Name1-(benzenesulfonamido)-1-(2-bromophenyl)-3-(pyridin-3-ylmethyl)urea
PubChem CID140758346
Molecular FormulaC19H17BrN4O3S
Molecular Weight461.34 g/mol
Exact Mass460.02
IUPAC Name1-(benzenesulfonamido)-1-(2-bromophenyl)-3-(pyridin-3-ylmethyl)urea
SMILESO=C(NCc1cccnc1)N(NS(=O)(=O)c1ccccc1)c1ccccc1Br
InChIInChI=1S/C19H17BrN4O3S/c20-17-10-4-5-11-18(17)24(19(25)22-14-15-7-6-12-21-13-15)23-28(26,27)16-8-2-1-3-9-16/h1-13,23H,14H2,(H,22,25)
InChIKeyAORMQRUOQRVGCW-UHFFFAOYSA-N
XLogP3.45
TPSA91.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.34
LogP ≤ 53.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-(benzenesulfonamido)-1-(2-chlorophenyl)-3-(pyridin-3-ylmethyl)urea
CID 140661162
1-(2-benzylphenyl)-1-methyl-3-(pyridin-3-ylmethyl)urea
CID 21487121
1-benzyl-1-propan-2-yl-3-(pyridin-3-ylmethyl)urea
CID 110706279
3-(benzenesulfonyl)-N-(pyridin-3-ylmethyl)propanamide
CID 17310054
2-[carboxymethyl(pyridin-3-ylmethylcarbamoyl)amino]acetic acid
CID 63645773
1-benzyl-1-phenyl-3-(pyridin-3-ylmethyl)urea
CID 110706293
1-naphthalen-1-yl-1-oxido-3-(pyridin-3-ylmethyl)urea
CID 21454491
3-bromo-N-(pyridin-3-ylmethyl)pyridine-2-carboxamide
CID 107517841
2-[(4-fluorophenyl)sulfonylamino]-N-(pyridin-3-ylmethyl)acetamide
CID 112993090
4-(benzenesulfonamidomethyl)-N-(pyridin-3-ylmethyl)cyclohexane-1-carboxamide
CID 3444702
2-[N-(benzenesulfonyl)-4-phenoxyanilino]-N-(pyridin-3-ylmethyl)acetamide
CID 126413663
3-[propan-2-yl(pyridin-3-ylmethylcarbamoyl)amino]propanoic acid
CID 61199983

Frequently Asked Questions

What is the IUPAC name of 1-(benzenesulfonamido)-1-(2-bromophenyl)-3-(pyridin-3-ylmethyl)urea?
The IUPAC name of 1-(benzenesulfonamido)-1-(2-bromophenyl)-3-(pyridin-3-ylmethyl)urea (CID 140758346) is 1-(benzenesulfonamido)-1-(2-bromophenyl)-3-(pyridin-3-ylmethyl)urea.
What is the SMILES notation for 1-(benzenesulfonamido)-1-(2-bromophenyl)-3-(pyridin-3-ylmethyl)urea?
The canonical SMILES for 1-(benzenesulfonamido)-1-(2-bromophenyl)-3-(pyridin-3-ylmethyl)urea is O=C(NCc1cccnc1)N(NS(=O)(=O)c1ccccc1)c1ccccc1Br.
What is the InChIKey of 1-(benzenesulfonamido)-1-(2-bromophenyl)-3-(pyridin-3-ylmethyl)urea?
The InChIKey is AORMQRUOQRVGCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17BrN4O3S/c20-17-10-4-5-11-18(17)24(19(25)22-14-15-7-6-12-21-13-15)23-28(26,27)16-8-2-1-3-9-16/h1-13,23H,14H2,(H,22,25).
What are the key properties of 1-(benzenesulfonamido)-1-(2-bromophenyl)-3-(pyridin-3-ylmethyl)urea?
1-(benzenesulfonamido)-1-(2-bromophenyl)-3-(pyridin-3-ylmethyl)urea has a molecular weight of 461.34 g/mol, XLogP of 3.45, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(benzenesulfonamido)-1-(2-bromophenyl)-3-(pyridin-3-ylmethyl)urea is sourced from PubChem (CID 140758346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).