3-chloro-N-[3-[2-[4-(cyclopropylsulfamoyl)phenyl]hydrazinyl]-3-oxopropyl]benzenesulfonamide

C18H21ClN4O5S2 — CID 56504283

IUPAC3-chloro-N-[3-[2-[4-(cyclopropylsulfamoyl)phenyl]hydrazinyl]-3-oxopropyl]benzenesulfonamide
SMILESO=C(CCNS(=O)(=O)c1cccc(Cl)c1)NNc1ccc(S(=O)(=O)NC2CC2)cc1
InChIInChI=1S/C18H21ClN4O5S2/c19-13-2-1-3-17(12-13)29(25,26)20-11-10-18(24)22-21-14-6-8-16(9-7-14)30(27,28)23-15-4-5-15/h1-3,6-9,12,15,20-21,23H,4-5,10-11H2,(H,22,24)
InChIKeyYYKJSOKYWGHBSI-UHFFFAOYSA-N
MW472.98 g/mol
LogP1.59
Rot. Bonds10

About 3-chloro-N-[3-[2-[4-(cyclopropylsulfamoyl)phenyl]hydrazinyl]-3-oxopropyl]benzenesulfonamide

3-chloro-N-[3-[2-[4-(cyclopropylsulfamoyl)phenyl]hydrazinyl]-3-oxopropyl]benzenesulfonamide (PubChem CID 56504283) has the molecular formula C18H21ClN4O5S2 and a molecular weight of 472.98 g/mol. Its IUPAC name is 3-chloro-N-[3-[2-[4-(cyclopropylsulfamoyl)phenyl]hydrazinyl]-3-oxopropyl]benzenesulfonamide.

Molecular Properties

Compound Name3-chloro-N-[3-[2-[4-(cyclopropylsulfamoyl)phenyl]hydrazinyl]-3-oxopropyl]benzenesulfonamide
PubChem CID56504283
Molecular FormulaC18H21ClN4O5S2
Molecular Weight472.98 g/mol
Exact Mass472.06
IUPAC Name3-chloro-N-[3-[2-[4-(cyclopropylsulfamoyl)phenyl]hydrazinyl]-3-oxopropyl]benzenesulfonamide
SMILESO=C(CCNS(=O)(=O)c1cccc(Cl)c1)NNc1ccc(S(=O)(=O)NC2CC2)cc1
InChIInChI=1S/C18H21ClN4O5S2/c19-13-2-1-3-17(12-13)29(25,26)20-11-10-18(24)22-21-14-6-8-16(9-7-14)30(27,28)23-15-4-5-15/h1-3,6-9,12,15,20-21,23H,4-5,10-11H2,(H,22,24)
InChIKeyYYKJSOKYWGHBSI-UHFFFAOYSA-N
XLogP1.59
TPSA133.47 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.98
LogP ≤ 51.59
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

3-chloro-N-[3-[2-(4,6-dimethylpyrimidin-2-yl)hydrazinyl]-3-oxopropyl]benzenesulfonamide
CID 30132724
3-(benzenesulfonamido)-N-[4-(cyclohexylsulfamoyl)phenyl]propanamide
CID 17225977
4-[3-[(3-chlorophenyl)sulfonylamino]propanoylamino]benzamide
CID 26636174
3-[(3-chlorophenyl)sulfonylamino]-N-propan-2-ylpropanamide
CID 27648389
3-[(3-chlorophenyl)sulfonylamino]-N-[4-(3-methylpyrrolidin-1-yl)phenyl]propanamide
CID 56557578
2-chloro-N-[4-(cyclopropylsulfamoyl)phenyl]acetamide
CID 43244647
N-(3-chlorophenyl)-5-(cyclopropylsulfamoyl)-2-methylbenzamide
CID 34744641
3-[(3-chlorophenyl)sulfonylamino]-N-(4-propan-2-yloxyphenyl)propanamide
CID 55869859
N-[3-(butylsulfamoyl)phenyl]-3-[4-(cyclopropylsulfamoyl)phenyl]propanamide
CID 30829010
[2-(3-chloroanilino)-2-oxoethyl] 5-(cyclopropylsulfamoyl)-2-methylbenzoate
CID 46679348
4-[(3-chlorophenyl)sulfonylamino]butanoic acid
CID 28829036
N-(3-chlorophenyl)-3-[(3,4-difluorophenyl)sulfonylamino]propanamide
CID 26578624

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[3-[2-[4-(cyclopropylsulfamoyl)phenyl]hydrazinyl]-3-oxopropyl]benzenesulfonamide?
The IUPAC name of 3-chloro-N-[3-[2-[4-(cyclopropylsulfamoyl)phenyl]hydrazinyl]-3-oxopropyl]benzenesulfonamide (CID 56504283) is 3-chloro-N-[3-[2-[4-(cyclopropylsulfamoyl)phenyl]hydrazinyl]-3-oxopropyl]benzenesulfonamide.
What is the SMILES notation for 3-chloro-N-[3-[2-[4-(cyclopropylsulfamoyl)phenyl]hydrazinyl]-3-oxopropyl]benzenesulfonamide?
The canonical SMILES for 3-chloro-N-[3-[2-[4-(cyclopropylsulfamoyl)phenyl]hydrazinyl]-3-oxopropyl]benzenesulfonamide is O=C(CCNS(=O)(=O)c1cccc(Cl)c1)NNc1ccc(S(=O)(=O)NC2CC2)cc1.
What is the InChIKey of 3-chloro-N-[3-[2-[4-(cyclopropylsulfamoyl)phenyl]hydrazinyl]-3-oxopropyl]benzenesulfonamide?
The InChIKey is YYKJSOKYWGHBSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21ClN4O5S2/c19-13-2-1-3-17(12-13)29(25,26)20-11-10-18(24)22-21-14-6-8-16(9-7-14)30(27,28)23-15-4-5-15/h1-3,6-9,12,15,20-21,23H,4-5,10-11H2,(H,22,24).
What are the key properties of 3-chloro-N-[3-[2-[4-(cyclopropylsulfamoyl)phenyl]hydrazinyl]-3-oxopropyl]benzenesulfonamide?
3-chloro-N-[3-[2-[4-(cyclopropylsulfamoyl)phenyl]hydrazinyl]-3-oxopropyl]benzenesulfonamide has a molecular weight of 472.98 g/mol, XLogP of 1.59, 10 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[3-[2-[4-(cyclopropylsulfamoyl)phenyl]hydrazinyl]-3-oxopropyl]benzenesulfonamide is sourced from PubChem (CID 56504283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).