4-chloro-N-[3-(4-fluorophenyl)sulfanylpropyl]-3-sulfamoylbenzamide

C16H16ClFN2O3S2 — CID 26635699

IUPAC4-chloro-N-[3-(4-fluorophenyl)sulfanylpropyl]-3-sulfamoylbenzamide
SMILESNS(=O)(=O)c1cc(C(=O)NCCCSc2ccc(F)cc2)ccc1Cl
InChIInChI=1S/C16H16ClFN2O3S2/c17-14-7-2-11(10-15(14)25(19,22)23)16(21)20-8-1-9-24-13-5-3-12(18)4-6-13/h2-7,10H,1,8-9H2,(H,20,21)(H2,19,22,23)
InChIKeyHXAWNKJWMBKGMP-UHFFFAOYSA-N
MW402.90 g/mol
LogP3.04
Rot. Bonds7

About 4-chloro-N-[3-(4-fluorophenyl)sulfanylpropyl]-3-sulfamoylbenzamide

4-chloro-N-[3-(4-fluorophenyl)sulfanylpropyl]-3-sulfamoylbenzamide (PubChem CID 26635699) has the molecular formula C16H16ClFN2O3S2 and a molecular weight of 402.90 g/mol. Its IUPAC name is 4-chloro-N-[3-(4-fluorophenyl)sulfanylpropyl]-3-sulfamoylbenzamide.

Molecular Properties

Compound Name4-chloro-N-[3-(4-fluorophenyl)sulfanylpropyl]-3-sulfamoylbenzamide
PubChem CID26635699
Molecular FormulaC16H16ClFN2O3S2
Molecular Weight402.90 g/mol
Exact Mass402.03
IUPAC Name4-chloro-N-[3-(4-fluorophenyl)sulfanylpropyl]-3-sulfamoylbenzamide
SMILESNS(=O)(=O)c1cc(C(=O)NCCCSc2ccc(F)cc2)ccc1Cl
InChIInChI=1S/C16H16ClFN2O3S2/c17-14-7-2-11(10-15(14)25(19,22)23)16(21)20-8-1-9-24-13-5-3-12(18)4-6-13/h2-7,10H,1,8-9H2,(H,20,21)(H2,19,22,23)
InChIKeyHXAWNKJWMBKGMP-UHFFFAOYSA-N
XLogP3.04
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.90
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-N-[3-(4-fluorophenyl)sulfanylpropyl]benzene-1,4-dicarboxamide
CID 30860863
3-(benzenesulfonamido)-N-[3-(4-fluorophenyl)sulfanylpropyl]benzamide
CID 27802378
N-[3-(4-fluorophenyl)sulfanylpropyl]-4-(prop-2-enylsulfamoyl)benzamide
CID 26635661
3-benzamido-N-[3-(4-fluorophenyl)sulfanylpropyl]-4-methylbenzamide
CID 46410167
4-chloro-N-(3-ethoxypropyl)-3-[(4-fluorophenyl)sulfamoyl]benzamide
CID 24540699
2-chloro-5-[4-(4-fluorophenyl)benzoyl]benzenesulfonamide
CID 58107414
2-chloro-N-[3-(4-fluorophenyl)sulfanylpropyl]pyridine-3-carboxamide
CID 26635822
3-(difluoromethoxy)-N-[3-(4-fluorophenyl)sulfanylpropyl]-4-methoxybenzamide
CID 55741143
4-chloro-N-methyl-3-sulfamoylbenzamide
CID 60637185
4-chloro-N-[4-[2-(cyclohexylamino)ethylamino]butyl]-3-sulfamoylbenzamide
CID 139937742
4-chloro-3-sulfamoyl-N-[(4-sulfamoylphenyl)methyl]benzamide
CID 2566555
4-(4-chlorophenyl)-N-[3-(4-fluorophenyl)sulfanylpropyl]-4-oxobutanamide
CID 26635879

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[3-(4-fluorophenyl)sulfanylpropyl]-3-sulfamoylbenzamide?
The IUPAC name of 4-chloro-N-[3-(4-fluorophenyl)sulfanylpropyl]-3-sulfamoylbenzamide (CID 26635699) is 4-chloro-N-[3-(4-fluorophenyl)sulfanylpropyl]-3-sulfamoylbenzamide.
What is the SMILES notation for 4-chloro-N-[3-(4-fluorophenyl)sulfanylpropyl]-3-sulfamoylbenzamide?
The canonical SMILES for 4-chloro-N-[3-(4-fluorophenyl)sulfanylpropyl]-3-sulfamoylbenzamide is NS(=O)(=O)c1cc(C(=O)NCCCSc2ccc(F)cc2)ccc1Cl.
What is the InChIKey of 4-chloro-N-[3-(4-fluorophenyl)sulfanylpropyl]-3-sulfamoylbenzamide?
The InChIKey is HXAWNKJWMBKGMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClFN2O3S2/c17-14-7-2-11(10-15(14)25(19,22)23)16(21)20-8-1-9-24-13-5-3-12(18)4-6-13/h2-7,10H,1,8-9H2,(H,20,21)(H2,19,22,23).
What are the key properties of 4-chloro-N-[3-(4-fluorophenyl)sulfanylpropyl]-3-sulfamoylbenzamide?
4-chloro-N-[3-(4-fluorophenyl)sulfanylpropyl]-3-sulfamoylbenzamide has a molecular weight of 402.90 g/mol, XLogP of 3.04, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[3-(4-fluorophenyl)sulfanylpropyl]-3-sulfamoylbenzamide is sourced from PubChem (CID 26635699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).