1-[4-[(3-chlorophenyl)sulfamoyl]phenyl]-3-prop-2-enylthiourea

C16H16ClN3O2S2 — CID 25048632

IUPAC1-[4-[(3-chlorophenyl)sulfamoyl]phenyl]-3-prop-2-enylthiourea
SMILESC=CCNC(=S)Nc1ccc(S(=O)(=O)Nc2cccc(Cl)c2)cc1
InChIInChI=1S/C16H16ClN3O2S2/c1-2-10-18-16(23)19-13-6-8-15(9-7-13)24(21,22)20-14-5-3-4-12(17)11-14/h2-9,11,20H,1,10H2,(H2,18,19,23)
InChIKeyAWUFHZLTSWRYAT-UHFFFAOYSA-N
MW381.91 g/mol
LogP3.61
Rot. Bonds6

About 1-[4-[(3-chlorophenyl)sulfamoyl]phenyl]-3-prop-2-enylthiourea

1-[4-[(3-chlorophenyl)sulfamoyl]phenyl]-3-prop-2-enylthiourea (PubChem CID 25048632) has the molecular formula C16H16ClN3O2S2 and a molecular weight of 381.91 g/mol. Its IUPAC name is 1-[4-[(3-chlorophenyl)sulfamoyl]phenyl]-3-prop-2-enylthiourea.

Molecular Properties

Compound Name1-[4-[(3-chlorophenyl)sulfamoyl]phenyl]-3-prop-2-enylthiourea
PubChem CID25048632
Molecular FormulaC16H16ClN3O2S2
Molecular Weight381.91 g/mol
Exact Mass381.04
IUPAC Name1-[4-[(3-chlorophenyl)sulfamoyl]phenyl]-3-prop-2-enylthiourea
SMILESC=CCNC(=S)Nc1ccc(S(=O)(=O)Nc2cccc(Cl)c2)cc1
InChIInChI=1S/C16H16ClN3O2S2/c1-2-10-18-16(23)19-13-6-8-15(9-7-13)24(21,22)20-14-5-3-4-12(17)11-14/h2-9,11,20H,1,10H2,(H2,18,19,23)
InChIKeyAWUFHZLTSWRYAT-UHFFFAOYSA-N
XLogP3.61
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.91
LogP ≤ 53.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)phenyl]-3-prop-2-enylthiourea
CID 8603795
1-[4-[(3-chlorophenyl)sulfamoyl]phenyl]-3-(pyridin-4-ylmethyl)urea
CID 135222969
1-[4-[(3,5-dichlorophenyl)sulfamoyl]phenyl]-3-(3-methylphenyl)thiourea
CID 19679968
3-chloro-N-[[4-(phenylsulfamoyl)phenyl]carbamothioyl]benzamide
CID 4940381
2-[4-[(3-chlorophenyl)sulfamoyl]phenyl]acetic acid
CID 43440440
1-(4-chlorophenyl)-3-[4-[(4-chlorophenyl)sulfamoyl]phenyl]thiourea
CID 19678524
N-(3-chlorophenyl)-4-iodobenzenesulfonamide
CID 3419372
1-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-3-prop-2-enylthiourea
CID 4136730
4-[(4-chlorophenyl)sulfonylamino]-N-prop-2-enylbenzamide
CID 94622380
N'-(3-chlorophenyl)-N-prop-2-enyloxamide
CID 2058074
1-(3,4-dichlorophenyl)-3-[4-[(3,4-dichlorophenyl)sulfamoyl]phenyl]thiourea
CID 19678641
N-[4-[(3-chlorophenyl)sulfamoyl]phenyl]piperidine-1-carboxamide
CID 7376472

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(3-chlorophenyl)sulfamoyl]phenyl]-3-prop-2-enylthiourea?
The IUPAC name of 1-[4-[(3-chlorophenyl)sulfamoyl]phenyl]-3-prop-2-enylthiourea (CID 25048632) is 1-[4-[(3-chlorophenyl)sulfamoyl]phenyl]-3-prop-2-enylthiourea.
What is the SMILES notation for 1-[4-[(3-chlorophenyl)sulfamoyl]phenyl]-3-prop-2-enylthiourea?
The canonical SMILES for 1-[4-[(3-chlorophenyl)sulfamoyl]phenyl]-3-prop-2-enylthiourea is C=CCNC(=S)Nc1ccc(S(=O)(=O)Nc2cccc(Cl)c2)cc1.
What is the InChIKey of 1-[4-[(3-chlorophenyl)sulfamoyl]phenyl]-3-prop-2-enylthiourea?
The InChIKey is AWUFHZLTSWRYAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClN3O2S2/c1-2-10-18-16(23)19-13-6-8-15(9-7-13)24(21,22)20-14-5-3-4-12(17)11-14/h2-9,11,20H,1,10H2,(H2,18,19,23).
What are the key properties of 1-[4-[(3-chlorophenyl)sulfamoyl]phenyl]-3-prop-2-enylthiourea?
1-[4-[(3-chlorophenyl)sulfamoyl]phenyl]-3-prop-2-enylthiourea has a molecular weight of 381.91 g/mol, XLogP of 3.61, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(3-chlorophenyl)sulfamoyl]phenyl]-3-prop-2-enylthiourea is sourced from PubChem (CID 25048632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).