4-chloro-3-(cyclopropylsulfamoyl)benzenecarbothioamide

C10H11ClN2O2S2 — CID 80704050

IUPAC4-chloro-3-(cyclopropylsulfamoyl)benzenecarbothioamide
SMILESNC(=S)c1ccc(Cl)c(S(=O)(=O)NC2CC2)c1
InChIInChI=1S/C10H11ClN2O2S2/c11-8-4-1-6(10(12)16)5-9(8)17(14,15)13-7-2-3-7/h1,4-5,7,13H,2-3H2,(H2,12,16)
InChIKeyDSXJHKFXJXDTAE-UHFFFAOYSA-N
MW290.80 g/mol
LogP1.41
Rot. Bonds4

About 4-chloro-3-(cyclopropylsulfamoyl)benzenecarbothioamide

4-chloro-3-(cyclopropylsulfamoyl)benzenecarbothioamide (PubChem CID 80704050) has the molecular formula C10H11ClN2O2S2 and a molecular weight of 290.80 g/mol. Its IUPAC name is 4-chloro-3-(cyclopropylsulfamoyl)benzenecarbothioamide.

Molecular Properties

Compound Name4-chloro-3-(cyclopropylsulfamoyl)benzenecarbothioamide
PubChem CID80704050
Molecular FormulaC10H11ClN2O2S2
Molecular Weight290.80 g/mol
Exact Mass290.00
IUPAC Name4-chloro-3-(cyclopropylsulfamoyl)benzenecarbothioamide
SMILESNC(=S)c1ccc(Cl)c(S(=O)(=O)NC2CC2)c1
InChIInChI=1S/C10H11ClN2O2S2/c11-8-4-1-6(10(12)16)5-9(8)17(14,15)13-7-2-3-7/h1,4-5,7,13H,2-3H2,(H2,12,16)
InChIKeyDSXJHKFXJXDTAE-UHFFFAOYSA-N
XLogP1.41
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.80
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-chloro-3-[(2-methylcyclopentyl)sulfamoyl]benzenecarbothioamide
CID 80704139
methyl 4-chloro-3-(cyclopropylsulfamoyl)benzoate
CID 32917957
4-chloro-3-(cyclopropylsulfamoylamino)benzenecarbothioamide
CID 114808498
methyl 4-chloro-3-(cyclopentylsulfamoyl)benzoate
CID 35294285
4-chloro-3-[(1-oxothian-4-yl)sulfamoyl]benzoic acid
CID 104655249
(2-chlorophenyl)methyl 4-chloro-3-(cyclopropylsulfamoyl)benzoate
CID 8672183
4-chloro-3-[(4-methylphenyl)sulfamoyl]benzenecarbothioamide
CID 80695158
4-chloro-3-[(4-methylpiperazin-1-yl)sulfamoyl]benzenecarbothioamide
CID 83017427
2,5-dichloro-N-[4-(methylamino)cyclohexyl]benzenesulfonamide
CID 79111068
4-chloro-3-(oxan-3-ylmethylsulfamoyl)benzenecarbothioamide
CID 80696165
methyl 4-chloro-3-(piperidin-4-ylsulfamoyl)benzoate
CID 43603231
(2-methylphenyl)methyl 4-chloro-3-(cyclopropylsulfamoyl)benzoate
CID 8672240

Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-(cyclopropylsulfamoyl)benzenecarbothioamide?
The IUPAC name of 4-chloro-3-(cyclopropylsulfamoyl)benzenecarbothioamide (CID 80704050) is 4-chloro-3-(cyclopropylsulfamoyl)benzenecarbothioamide.
What is the SMILES notation for 4-chloro-3-(cyclopropylsulfamoyl)benzenecarbothioamide?
The canonical SMILES for 4-chloro-3-(cyclopropylsulfamoyl)benzenecarbothioamide is NC(=S)c1ccc(Cl)c(S(=O)(=O)NC2CC2)c1.
What is the InChIKey of 4-chloro-3-(cyclopropylsulfamoyl)benzenecarbothioamide?
The InChIKey is DSXJHKFXJXDTAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClN2O2S2/c11-8-4-1-6(10(12)16)5-9(8)17(14,15)13-7-2-3-7/h1,4-5,7,13H,2-3H2,(H2,12,16).
What are the key properties of 4-chloro-3-(cyclopropylsulfamoyl)benzenecarbothioamide?
4-chloro-3-(cyclopropylsulfamoyl)benzenecarbothioamide has a molecular weight of 290.80 g/mol, XLogP of 1.41, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3-(cyclopropylsulfamoyl)benzenecarbothioamide is sourced from PubChem (CID 80704050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).