N-cyclohexyl-N-methyl-4-[3-(prop-2-ynylsulfamoyl)benzoyl]piperazine-1-sulfonamide

C21H30N4O5S2 — CID 55599290

IUPACN-cyclohexyl-N-methyl-4-[3-(prop-2-ynylsulfamoyl)benzoyl]piperazine-1-sulfonamide
SMILESC#CCNS(=O)(=O)c1cccc(C(=O)N2CCN(S(=O)(=O)N(C)C3CCCCC3)CC2)c1
InChIInChI=1S/C21H30N4O5S2/c1-3-12-22-31(27,28)20-11-7-8-18(17-20)21(26)24-13-15-25(16-14-24)32(29,30)23(2)19-9-5-4-6-10-19/h1,7-8,11,17,19,22H,4-6,9-10,12-16H2,2H3
InChIKeyBODOKZXPANFXFT-UHFFFAOYSA-N
MW482.63 g/mol
LogP0.87
Rot. Bonds7

About N-cyclohexyl-N-methyl-4-[3-(prop-2-ynylsulfamoyl)benzoyl]piperazine-1-sulfonamide

N-cyclohexyl-N-methyl-4-[3-(prop-2-ynylsulfamoyl)benzoyl]piperazine-1-sulfonamide (PubChem CID 55599290) has the molecular formula C21H30N4O5S2 and a molecular weight of 482.63 g/mol. Its IUPAC name is N-cyclohexyl-N-methyl-4-[3-(prop-2-ynylsulfamoyl)benzoyl]piperazine-1-sulfonamide.

Molecular Properties

Compound NameN-cyclohexyl-N-methyl-4-[3-(prop-2-ynylsulfamoyl)benzoyl]piperazine-1-sulfonamide
PubChem CID55599290
Molecular FormulaC21H30N4O5S2
Molecular Weight482.63 g/mol
Exact Mass482.17
IUPAC NameN-cyclohexyl-N-methyl-4-[3-(prop-2-ynylsulfamoyl)benzoyl]piperazine-1-sulfonamide
SMILESC#CCNS(=O)(=O)c1cccc(C(=O)N2CCN(S(=O)(=O)N(C)C3CCCCC3)CC2)c1
InChIInChI=1S/C21H30N4O5S2/c1-3-12-22-31(27,28)20-11-7-8-18(17-20)21(26)24-13-15-25(16-14-24)32(29,30)23(2)19-9-5-4-6-10-19/h1,7-8,11,17,19,22H,4-6,9-10,12-16H2,2H3
InChIKeyBODOKZXPANFXFT-UHFFFAOYSA-N
XLogP0.87
TPSA107.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.63
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-cyclohexyl-N-methyl-4-[3-(prop-2-ynylsulfamoyl)benzoyl]piperazine-1-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[4-(2-cyclopentylacetyl)piperazine-1-carbonyl]-N-prop-2-ynylbenzenesulfonamide
CID 46610186
N-cyclohexyl-N-cyclopropyl-3-(prop-2-ynylsulfamoyl)benzamide
CID 47789881
3-[4-(2-chlorophenyl)piperazine-1-carbonyl]-N-prop-2-ynylbenzenesulfonamide
CID 27005566
3-(prop-2-ynylsulfamoyl)-N-[4-(pyrrolidine-1-carbonyl)phenyl]benzamide
CID 46533294
3-[4-[(2-fluorophenyl)methyl]piperazine-1-carbonyl]-N-prop-2-ynylbenzenesulfonamide
CID 31114867
N-cyclohexyl-4-(3,4-diethoxybenzoyl)-N-methylpiperazine-1-sulfonamide
CID 55599312
methyl 4-[4-[cyclohexyl(methyl)sulfamoyl]piperazine-1-carbonyl]benzoate
CID 55599328
3-(2-phenylpyrrolidine-1-carbonyl)-N-prop-2-ynylbenzenesulfonamide
CID 51325401
3-[4-[(E)-3-phenylprop-2-enyl]piperazine-1-carbonyl]-N-prop-2-ynylbenzenesulfonamide
CID 134061815
N-cyclohexyl-3-[4-(4-ethylbenzoyl)piperazine-1-carbonyl]-N-methylbenzenesulfonamide
CID 32769750
4-(azepane-1-carbonyl)-N-prop-2-ynylbenzenesulfonamide
CID 17466659
3-[2-(2-phenylethyl)pyrrolidine-1-carbonyl]-N-prop-2-ynylbenzenesulfonamide
CID 55924570

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-N-methyl-4-[3-(prop-2-ynylsulfamoyl)benzoyl]piperazine-1-sulfonamide?
The IUPAC name of N-cyclohexyl-N-methyl-4-[3-(prop-2-ynylsulfamoyl)benzoyl]piperazine-1-sulfonamide (CID 55599290) is N-cyclohexyl-N-methyl-4-[3-(prop-2-ynylsulfamoyl)benzoyl]piperazine-1-sulfonamide.
What is the SMILES notation for N-cyclohexyl-N-methyl-4-[3-(prop-2-ynylsulfamoyl)benzoyl]piperazine-1-sulfonamide?
The canonical SMILES for N-cyclohexyl-N-methyl-4-[3-(prop-2-ynylsulfamoyl)benzoyl]piperazine-1-sulfonamide is C#CCNS(=O)(=O)c1cccc(C(=O)N2CCN(S(=O)(=O)N(C)C3CCCCC3)CC2)c1.
What is the InChIKey of N-cyclohexyl-N-methyl-4-[3-(prop-2-ynylsulfamoyl)benzoyl]piperazine-1-sulfonamide?
The InChIKey is BODOKZXPANFXFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N4O5S2/c1-3-12-22-31(27,28)20-11-7-8-18(17-20)21(26)24-13-15-25(16-14-24)32(29,30)23(2)19-9-5-4-6-10-19/h1,7-8,11,17,19,22H,4-6,9-10,12-16H2,2H3.
What are the key properties of N-cyclohexyl-N-methyl-4-[3-(prop-2-ynylsulfamoyl)benzoyl]piperazine-1-sulfonamide?
N-cyclohexyl-N-methyl-4-[3-(prop-2-ynylsulfamoyl)benzoyl]piperazine-1-sulfonamide has a molecular weight of 482.63 g/mol, XLogP of 0.87, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-N-methyl-4-[3-(prop-2-ynylsulfamoyl)benzoyl]piperazine-1-sulfonamide is sourced from PubChem (CID 55599290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).