4-chloro-N-[(Z)-3,4-dihydro-1H-naphthalen-2-ylideneamino]-3-sulfamoylbenzamide

C17H16ClN3O3S — CID 9410831

IUPAC4-chloro-N-[(Z)-3,4-dihydro-1H-naphthalen-2-ylideneamino]-3-sulfamoylbenzamide
SMILESNS(=O)(=O)c1cc(C(=O)N/N=C2/CCc3ccccc3C2)ccc1Cl
InChIInChI=1S/C17H16ClN3O3S/c18-15-8-6-13(10-16(15)25(19,23)24)17(22)21-20-14-7-5-11-3-1-2-4-12(11)9-14/h1-4,6,8,10H,5,7,9H2,(H,21,22)(H2,19,23,24)/b20-14-
InChIKeyYLMPPRLRBRAZPN-ZHZULCJRSA-N
MW377.85 g/mol
LogP2.26
Rot. Bonds3

About 4-chloro-N-[(Z)-3,4-dihydro-1H-naphthalen-2-ylideneamino]-3-sulfamoylbenzamide

4-chloro-N-[(Z)-3,4-dihydro-1H-naphthalen-2-ylideneamino]-3-sulfamoylbenzamide (PubChem CID 9410831) has the molecular formula C17H16ClN3O3S and a molecular weight of 377.85 g/mol. Its IUPAC name is 4-chloro-N-[(Z)-3,4-dihydro-1H-naphthalen-2-ylideneamino]-3-sulfamoylbenzamide.

Molecular Properties

Compound Name4-chloro-N-[(Z)-3,4-dihydro-1H-naphthalen-2-ylideneamino]-3-sulfamoylbenzamide
PubChem CID9410831
Molecular FormulaC17H16ClN3O3S
Molecular Weight377.85 g/mol
Exact Mass377.06
IUPAC Name4-chloro-N-[(Z)-3,4-dihydro-1H-naphthalen-2-ylideneamino]-3-sulfamoylbenzamide
SMILESNS(=O)(=O)c1cc(C(=O)N/N=C2/CCc3ccccc3C2)ccc1Cl
InChIInChI=1S/C17H16ClN3O3S/c18-15-8-6-13(10-16(15)25(19,23)24)17(22)21-20-14-7-5-11-3-1-2-4-12(11)9-14/h1-4,6,8,10H,5,7,9H2,(H,21,22)(H2,19,23,24)/b20-14-
InChIKeyYLMPPRLRBRAZPN-ZHZULCJRSA-N
XLogP2.26
TPSA101.62 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.85
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(Z)-3,4-dihydro-1H-naphthalen-2-ylideneamino]benzamide
CID 9410916
N-[(E)-3,4-dihydro-1H-naphthalen-2-ylideneamino]-1,3-benzodioxole-5-carboxamide
CID 9410613
1,3-bis[(Z)-3,4-dihydro-1H-naphthalen-2-ylideneamino]urea
CID 5467984
N-(1,3-dihydroinden-2-ylideneamino)-4-fluorobenzamide
CID 9016757
4-chloro-N-methyl-3-sulfamoylbenzamide
CID 60637185
4-chloro-3-sulfamoyl-N-(2,2,3,3-tetramethylcyclopropyl)benzamide
CID 79360203
4-chloro-N-(3-ethylpentan-3-yl)-3-sulfamoylbenzamide
CID 65380198
(2S)-2-[(4-chloro-3-sulfamoylbenzoyl)amino]-2-phenylacetic acid
CID 71458070
2-chloro-5-(dimethylaminocarbamoyl)benzenesulfonamide;hydrochloride
CID 174942395
N-(4-tert-butylphenyl)-4-chloro-3-sulfamoylbenzamide
CID 9413612
3-chloro-N-[[4-[(3-chlorobenzoyl)hydrazinylidene]cyclohexylidene]amino]benzamide
CID 1240483
4-chloro-N-[(E)-1-(5-fluoro-2-hydroxyphenyl)ethylideneamino]-3-sulfamoylbenzamide
CID 135582534

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[(Z)-3,4-dihydro-1H-naphthalen-2-ylideneamino]-3-sulfamoylbenzamide?
The IUPAC name of 4-chloro-N-[(Z)-3,4-dihydro-1H-naphthalen-2-ylideneamino]-3-sulfamoylbenzamide (CID 9410831) is 4-chloro-N-[(Z)-3,4-dihydro-1H-naphthalen-2-ylideneamino]-3-sulfamoylbenzamide.
What is the SMILES notation for 4-chloro-N-[(Z)-3,4-dihydro-1H-naphthalen-2-ylideneamino]-3-sulfamoylbenzamide?
The canonical SMILES for 4-chloro-N-[(Z)-3,4-dihydro-1H-naphthalen-2-ylideneamino]-3-sulfamoylbenzamide is NS(=O)(=O)c1cc(C(=O)N/N=C2/CCc3ccccc3C2)ccc1Cl.
What is the InChIKey of 4-chloro-N-[(Z)-3,4-dihydro-1H-naphthalen-2-ylideneamino]-3-sulfamoylbenzamide?
The InChIKey is YLMPPRLRBRAZPN-ZHZULCJRSA-N. The full InChI is InChI=1S/C17H16ClN3O3S/c18-15-8-6-13(10-16(15)25(19,23)24)17(22)21-20-14-7-5-11-3-1-2-4-12(11)9-14/h1-4,6,8,10H,5,7,9H2,(H,21,22)(H2,19,23,24)/b20-14-.
What are the key properties of 4-chloro-N-[(Z)-3,4-dihydro-1H-naphthalen-2-ylideneamino]-3-sulfamoylbenzamide?
4-chloro-N-[(Z)-3,4-dihydro-1H-naphthalen-2-ylideneamino]-3-sulfamoylbenzamide has a molecular weight of 377.85 g/mol, XLogP of 2.26, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[(Z)-3,4-dihydro-1H-naphthalen-2-ylideneamino]-3-sulfamoylbenzamide is sourced from PubChem (CID 9410831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).