1-[[4-(sulfinatoamino)phenyl]carbamoylamino]naphthalene

C17H14N3O3S- — CID 58200224

IUPAC1-[[4-(sulfinatoamino)phenyl]carbamoylamino]naphthalene
SMILESO=C(Nc1ccc(NS(=O)[O-])cc1)Nc1cccc2ccccc12
InChIInChI=1S/C17H15N3O3S/c21-17(18-13-8-10-14(11-9-13)20-24(22)23)19-16-7-3-5-12-4-1-2-6-15(12)16/h1-11,20H,(H,22,23)(H2,18,19,21)/p-1
InChIKeyBTXWKOZSILGHGD-UHFFFAOYSA-M
MW340.38 g/mol
LogP3.69
Rot. Bonds4

About 1-[[4-(sulfinatoamino)phenyl]carbamoylamino]naphthalene

1-[[4-(sulfinatoamino)phenyl]carbamoylamino]naphthalene (PubChem CID 58200224) has the molecular formula C17H14N3O3S- and a molecular weight of 340.38 g/mol. Its IUPAC name is 1-[[4-(sulfinatoamino)phenyl]carbamoylamino]naphthalene.

Molecular Properties

Compound Name1-[[4-(sulfinatoamino)phenyl]carbamoylamino]naphthalene
PubChem CID58200224
Molecular FormulaC17H14N3O3S-
Molecular Weight340.38 g/mol
Exact Mass340.08
IUPAC Name1-[[4-(sulfinatoamino)phenyl]carbamoylamino]naphthalene
SMILESO=C(Nc1ccc(NS(=O)[O-])cc1)Nc1cccc2ccccc12
InChIInChI=1S/C17H15N3O3S/c21-17(18-13-8-10-14(11-9-13)20-24(22)23)19-16-7-3-5-12-4-1-2-6-15(12)16/h1-11,20H,(H,22,23)(H2,18,19,21)/p-1
InChIKeyBTXWKOZSILGHGD-UHFFFAOYSA-M
XLogP3.69
TPSA93.29 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.38
LogP ≤ 53.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-naphthalen-1-yl-3-[4-(naphthalen-1-ylcarbamoylamino)phenyl]urea
CID 23966866
1-naphthalen-1-yl-3-[2-(naphthalen-1-ylcarbamoylamino)phenyl]urea
CID 177491059
1-naphthalen-1-yl-3-[5-(naphthalen-1-ylcarbamoylamino)naphthalen-1-yl]urea
CID 27190755
1-naphthalen-1-yl-3-(4-nitrophenyl)urea
CID 5086557
1-(4-butoxyphenyl)-3-naphthalen-1-ylurea
CID 4146159
N-naphthalen-1-yl-2-phenyl-2-[4-(phenylcarbamoylamino)phenyl]sulfanylacetamide
CID 19712560
1-(3,5-dibromo-4-hydroxyphenyl)-3-naphthalen-1-ylurea
CID 69011660
3-(naphthalen-1-ylcarbamoyl)but-3-enoic acid
CID 139970966
N,N'-dinaphthalen-1-ylbutanediamide
CID 1346643
1-naphthalen-1-yl-3-tritylurea
CID 4029941
1-[2-[(R)-methylsulfinyl]ethyl]-3-naphthalen-1-ylurea
CID 51686352
1-(2-chloro-4-pyridinyl)-3-naphthalen-1-ylurea
CID 27190760

Frequently Asked Questions

What is the IUPAC name of 1-[[4-(sulfinatoamino)phenyl]carbamoylamino]naphthalene?
The IUPAC name of 1-[[4-(sulfinatoamino)phenyl]carbamoylamino]naphthalene (CID 58200224) is 1-[[4-(sulfinatoamino)phenyl]carbamoylamino]naphthalene.
What is the SMILES notation for 1-[[4-(sulfinatoamino)phenyl]carbamoylamino]naphthalene?
The canonical SMILES for 1-[[4-(sulfinatoamino)phenyl]carbamoylamino]naphthalene is O=C(Nc1ccc(NS(=O)[O-])cc1)Nc1cccc2ccccc12.
What is the InChIKey of 1-[[4-(sulfinatoamino)phenyl]carbamoylamino]naphthalene?
The InChIKey is BTXWKOZSILGHGD-UHFFFAOYSA-M. The full InChI is InChI=1S/C17H15N3O3S/c21-17(18-13-8-10-14(11-9-13)20-24(22)23)19-16-7-3-5-12-4-1-2-6-15(12)16/h1-11,20H,(H,22,23)(H2,18,19,21)/p-1.
What are the key properties of 1-[[4-(sulfinatoamino)phenyl]carbamoylamino]naphthalene?
1-[[4-(sulfinatoamino)phenyl]carbamoylamino]naphthalene has a molecular weight of 340.38 g/mol, XLogP of 3.69, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-(sulfinatoamino)phenyl]carbamoylamino]naphthalene is sourced from PubChem (CID 58200224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).