1-(benzenesulfonamido)-3-propan-2-ylurea

C10H15N3O3S — CID 47173657

IUPAC1-(benzenesulfonamido)-3-propan-2-ylurea
SMILESCC(C)NC(=O)NNS(=O)(=O)c1ccccc1
InChIInChI=1S/C10H15N3O3S/c1-8(2)11-10(14)12-13-17(15,16)9-6-4-3-5-7-9/h3-8,13H,1-2H3,(H2,11,12,14)
InChIKeyZFTCCSRRTOVTNE-UHFFFAOYSA-N
MW257.31 g/mol
LogP0.59
Rot. Bonds4

About 1-(benzenesulfonamido)-3-propan-2-ylurea

1-(benzenesulfonamido)-3-propan-2-ylurea (PubChem CID 47173657) has the molecular formula C10H15N3O3S and a molecular weight of 257.31 g/mol. Its IUPAC name is 1-(benzenesulfonamido)-3-propan-2-ylurea.

Molecular Properties

Compound Name1-(benzenesulfonamido)-3-propan-2-ylurea
PubChem CID47173657
Molecular FormulaC10H15N3O3S
Molecular Weight257.31 g/mol
Exact Mass257.08
IUPAC Name1-(benzenesulfonamido)-3-propan-2-ylurea
SMILESCC(C)NC(=O)NNS(=O)(=O)c1ccccc1
InChIInChI=1S/C10H15N3O3S/c1-8(2)11-10(14)12-13-17(15,16)9-6-4-3-5-7-9/h3-8,13H,1-2H3,(H2,11,12,14)
InChIKeyZFTCCSRRTOVTNE-UHFFFAOYSA-N
XLogP0.59
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.31
LogP ≤ 50.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(benzenesulfonamido)-N-propan-2-ylpropanamide
CID 3279426
sodium N'-(benzenesulfonyl)benzohydrazide
CID 54612136
2-amino-N'-(benzenesulfonyl)-2-methylpropanehydrazide
CID 67519869
2-[2-(4-fluorophenyl)sulfonylhydrazinyl]-2-oxo-N-propan-2-ylacetamide
CID 8841002
N-(3-oxobutan-2-yl)benzenesulfonamide
CID 64994182
N'-(benzenesulfonyl)-4-methoxybenzohydrazide
CID 795528
1-[(4-tert-butylphenyl)sulfonylamino]-3-phenylurea
CID 17429773
(2S)-2-(benzenesulfonamido)-3-methylbutanoic acid;methane
CID 158887122
(2R)-2-(benzenesulfonamido)propanamide
CID 970705
N'-(benzenesulfonyl)-2,6-dimethylpiperidine-1-carbohydrazide;molecular hydrogen
CID 142366581
N'-(benzenesulfonyl)-2,5-dimethylbenzohydrazide
CID 54112488
2-[[4-(benzenesulfonamido)benzoyl]amino]-N-propan-2-ylbenzamide
CID 2979282

Frequently Asked Questions

What is the IUPAC name of 1-(benzenesulfonamido)-3-propan-2-ylurea?
The IUPAC name of 1-(benzenesulfonamido)-3-propan-2-ylurea (CID 47173657) is 1-(benzenesulfonamido)-3-propan-2-ylurea.
What is the SMILES notation for 1-(benzenesulfonamido)-3-propan-2-ylurea?
The canonical SMILES for 1-(benzenesulfonamido)-3-propan-2-ylurea is CC(C)NC(=O)NNS(=O)(=O)c1ccccc1.
What is the InChIKey of 1-(benzenesulfonamido)-3-propan-2-ylurea?
The InChIKey is ZFTCCSRRTOVTNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O3S/c1-8(2)11-10(14)12-13-17(15,16)9-6-4-3-5-7-9/h3-8,13H,1-2H3,(H2,11,12,14).
What are the key properties of 1-(benzenesulfonamido)-3-propan-2-ylurea?
1-(benzenesulfonamido)-3-propan-2-ylurea has a molecular weight of 257.31 g/mol, XLogP of 0.59, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(benzenesulfonamido)-3-propan-2-ylurea is sourced from PubChem (CID 47173657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).