2-aminobenzenesulfonamide;naphthalen-1-ylurea

C17H18N4O3S — CID 174452527

IUPAC2-aminobenzenesulfonamide;naphthalen-1-ylurea
SMILESNC(=O)Nc1cccc2ccccc12.Nc1ccccc1S(N)(=O)=O
InChIInChI=1S/C11H10N2O.C6H8N2O2S/c12-11(14)13-10-7-3-5-8-4-1-2-6-9(8)10;7-5-3-1-2-4-6(5)11(8,9)10/h1-7H,(H3,12,13,14);1-4H,7H2,(H2,8,9,10)
InChIKeyBXINTPVFDJTSGX-UHFFFAOYSA-N
MW358.42 g/mol
LogP2.25
Rot. Bonds2

About 2-aminobenzenesulfonamide;naphthalen-1-ylurea

2-aminobenzenesulfonamide;naphthalen-1-ylurea (PubChem CID 174452527) has the molecular formula C17H18N4O3S and a molecular weight of 358.42 g/mol. Its IUPAC name is 2-aminobenzenesulfonamide;naphthalen-1-ylurea.

Molecular Properties

Compound Name2-aminobenzenesulfonamide;naphthalen-1-ylurea
PubChem CID174452527
Molecular FormulaC17H18N4O3S
Molecular Weight358.42 g/mol
Exact Mass358.11
IUPAC Name2-aminobenzenesulfonamide;naphthalen-1-ylurea
SMILESNC(=O)Nc1cccc2ccccc12.Nc1ccccc1S(N)(=O)=O
InChIInChI=1S/C11H10N2O.C6H8N2O2S/c12-11(14)13-10-7-3-5-8-4-1-2-6-9(8)10;7-5-3-1-2-4-6(5)11(8,9)10/h1-7H,(H3,12,13,14);1-4H,7H2,(H2,8,9,10)
InChIKeyBXINTPVFDJTSGX-UHFFFAOYSA-N
XLogP2.25
TPSA141.30 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.42
LogP ≤ 52.25
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

naphthalen-1-ylurea;hydrochloride
CID 141142203
1-naphthalen-1-yl-3-[2-(naphthalen-1-ylcarbamoylamino)phenyl]urea
CID 177491059
N-(5-sulfamoylnaphthalen-1-yl)acetamide
CID 3403698
azane;naphthalene-1-sulfonamide
CID 174765300
N-naphthalen-1-yl-5-sulfamoylfuran-2-carboxamide
CID 84576099
(2,3-diaminophenyl)urea
CID 18704055
1-naphthalen-1-yl-3-[5-(naphthalen-1-ylcarbamoylamino)naphthalen-1-yl]urea
CID 27190755
N,N'-dinaphthalen-1-ylbutanediamide
CID 1346643
1-naphthalen-1-yl-3-(naphthalen-1-ylsulfamoyl)urea
CID 134347050
3-methylsulfonyl-N-naphthalen-1-ylpropanamide
CID 127504646
3-amino-N-(2-sulfamoylphenyl)propanamide
CID 10705385
2-amino-N-naphthalen-1-ylacetamide;hydrochloride
CID 47003070

Frequently Asked Questions

What is the IUPAC name of 2-aminobenzenesulfonamide;naphthalen-1-ylurea?
The IUPAC name of 2-aminobenzenesulfonamide;naphthalen-1-ylurea (CID 174452527) is 2-aminobenzenesulfonamide;naphthalen-1-ylurea.
What is the SMILES notation for 2-aminobenzenesulfonamide;naphthalen-1-ylurea?
The canonical SMILES for 2-aminobenzenesulfonamide;naphthalen-1-ylurea is NC(=O)Nc1cccc2ccccc12.Nc1ccccc1S(N)(=O)=O.
What is the InChIKey of 2-aminobenzenesulfonamide;naphthalen-1-ylurea?
The InChIKey is BXINTPVFDJTSGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2O.C6H8N2O2S/c12-11(14)13-10-7-3-5-8-4-1-2-6-9(8)10;7-5-3-1-2-4-6(5)11(8,9)10/h1-7H,(H3,12,13,14);1-4H,7H2,(H2,8,9,10).
What are the key properties of 2-aminobenzenesulfonamide;naphthalen-1-ylurea?
2-aminobenzenesulfonamide;naphthalen-1-ylurea has a molecular weight of 358.42 g/mol, XLogP of 2.25, 2 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-aminobenzenesulfonamide;naphthalen-1-ylurea is sourced from PubChem (CID 174452527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).