1-[4-[(4-chlorophenyl)sulfamoyl]phenyl]-3-pyridin-3-ylthiourea

C18H15ClN4O2S2 — CID 25041089

IUPAC1-[4-[(4-chlorophenyl)sulfamoyl]phenyl]-3-pyridin-3-ylthiourea
SMILESO=S(=O)(Nc1ccc(Cl)cc1)c1ccc(NC(=S)Nc2cccnc2)cc1
InChIInChI=1S/C18H15ClN4O2S2/c19-13-3-5-15(6-4-13)23-27(24,25)17-9-7-14(8-10-17)21-18(26)22-16-2-1-11-20-12-16/h1-12,23H,(H2,21,22,26)
InChIKeyPNWPINPIMWWKJT-UHFFFAOYSA-N
MW418.93 g/mol
LogP4.34
Rot. Bonds5

About 1-[4-[(4-chlorophenyl)sulfamoyl]phenyl]-3-pyridin-3-ylthiourea

1-[4-[(4-chlorophenyl)sulfamoyl]phenyl]-3-pyridin-3-ylthiourea (PubChem CID 25041089) has the molecular formula C18H15ClN4O2S2 and a molecular weight of 418.93 g/mol. Its IUPAC name is 1-[4-[(4-chlorophenyl)sulfamoyl]phenyl]-3-pyridin-3-ylthiourea.

Molecular Properties

Compound Name1-[4-[(4-chlorophenyl)sulfamoyl]phenyl]-3-pyridin-3-ylthiourea
PubChem CID25041089
Molecular FormulaC18H15ClN4O2S2
Molecular Weight418.93 g/mol
Exact Mass418.03
IUPAC Name1-[4-[(4-chlorophenyl)sulfamoyl]phenyl]-3-pyridin-3-ylthiourea
SMILESO=S(=O)(Nc1ccc(Cl)cc1)c1ccc(NC(=S)Nc2cccnc2)cc1
InChIInChI=1S/C18H15ClN4O2S2/c19-13-3-5-15(6-4-13)23-27(24,25)17-9-7-14(8-10-17)21-18(26)22-16-2-1-11-20-12-16/h1-12,23H,(H2,21,22,26)
InChIKeyPNWPINPIMWWKJT-UHFFFAOYSA-N
XLogP4.34
TPSA83.12 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.93
LogP ≤ 54.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(4-chlorophenyl)-3-[4-[(4-chlorophenyl)sulfamoyl]phenyl]thiourea
CID 19678524
1-[4-[(4-ethoxyphenyl)sulfamoyl]phenyl]-3-pyridin-3-ylthiourea
CID 25043088
1-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-3-pyridin-3-ylthiourea
CID 25045123
2-(4-chlorophenyl)sulfanyl-N-[4-(pyridin-3-ylsulfamoyl)phenyl]propanamide
CID 43908489
1-[4-[(4-chlorophenyl)sulfamoyl]phenyl]-3-(2,3-dimethylphenyl)thiourea
CID 19678548
1-[4-[(4-chlorophenyl)sulfamoyl]phenyl]-3-(3,5-dimethoxyphenyl)thiourea
CID 19678591
(2S)-2-(4-chloro-N-methylsulfonylanilino)-N-[4-(pyridin-3-ylsulfamoyl)phenyl]propanamide
CID 99950175
(2S)-2-(4-chlorophenyl)sulfanyl-N-[4-(pyridin-3-ylsulfamoyl)phenyl]butanamide
CID 28573679
1-(3,4-dichlorophenyl)-3-[4-[(3,4-dichlorophenyl)sulfamoyl]phenyl]thiourea
CID 19678641
2-[N-(benzenesulfonyl)-4-chloroanilino]-N-[4-(pyridin-3-ylsulfamoyl)phenyl]acetamide
CID 99943258
N-[3-[(4-chlorophenyl)sulfamoyl]phenyl]pyridine-3-carboxamide
CID 51162183
3,5-dichloro-N-pyridin-3-ylbenzenesulfonamide
CID 3269893

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(4-chlorophenyl)sulfamoyl]phenyl]-3-pyridin-3-ylthiourea?
The IUPAC name of 1-[4-[(4-chlorophenyl)sulfamoyl]phenyl]-3-pyridin-3-ylthiourea (CID 25041089) is 1-[4-[(4-chlorophenyl)sulfamoyl]phenyl]-3-pyridin-3-ylthiourea.
What is the SMILES notation for 1-[4-[(4-chlorophenyl)sulfamoyl]phenyl]-3-pyridin-3-ylthiourea?
The canonical SMILES for 1-[4-[(4-chlorophenyl)sulfamoyl]phenyl]-3-pyridin-3-ylthiourea is O=S(=O)(Nc1ccc(Cl)cc1)c1ccc(NC(=S)Nc2cccnc2)cc1.
What is the InChIKey of 1-[4-[(4-chlorophenyl)sulfamoyl]phenyl]-3-pyridin-3-ylthiourea?
The InChIKey is PNWPINPIMWWKJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15ClN4O2S2/c19-13-3-5-15(6-4-13)23-27(24,25)17-9-7-14(8-10-17)21-18(26)22-16-2-1-11-20-12-16/h1-12,23H,(H2,21,22,26).
What are the key properties of 1-[4-[(4-chlorophenyl)sulfamoyl]phenyl]-3-pyridin-3-ylthiourea?
1-[4-[(4-chlorophenyl)sulfamoyl]phenyl]-3-pyridin-3-ylthiourea has a molecular weight of 418.93 g/mol, XLogP of 4.34, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(4-chlorophenyl)sulfamoyl]phenyl]-3-pyridin-3-ylthiourea is sourced from PubChem (CID 25041089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).