N-tert-butyl-3-(4-methylpiperazine-1-carbonyl)benzenesulfonamide

C16H25N3O3S — CID 109064276

IUPACN-tert-butyl-3-(4-methylpiperazine-1-carbonyl)benzenesulfonamide
SMILESCN1CCN(C(=O)c2cccc(S(=O)(=O)NC(C)(C)C)c2)CC1
InChIInChI=1S/C16H25N3O3S/c1-16(2,3)17-23(21,22)14-7-5-6-13(12-14)15(20)19-10-8-18(4)9-11-19/h5-7,12,17H,8-11H2,1-4H3
InChIKeyBKMSCVVQROJWSS-UHFFFAOYSA-N
MW339.46 g/mol
LogP1.15
Rot. Bonds3

About N-tert-butyl-3-(4-methylpiperazine-1-carbonyl)benzenesulfonamide

N-tert-butyl-3-(4-methylpiperazine-1-carbonyl)benzenesulfonamide (PubChem CID 109064276) has the molecular formula C16H25N3O3S and a molecular weight of 339.46 g/mol. Its IUPAC name is N-tert-butyl-3-(4-methylpiperazine-1-carbonyl)benzenesulfonamide.

Molecular Properties

Compound NameN-tert-butyl-3-(4-methylpiperazine-1-carbonyl)benzenesulfonamide
PubChem CID109064276
Molecular FormulaC16H25N3O3S
Molecular Weight339.46 g/mol
Exact Mass339.16
IUPAC NameN-tert-butyl-3-(4-methylpiperazine-1-carbonyl)benzenesulfonamide
SMILESCN1CCN(C(=O)c2cccc(S(=O)(=O)NC(C)(C)C)c2)CC1
InChIInChI=1S/C16H25N3O3S/c1-16(2,3)17-23(21,22)14-7-5-6-13(12-14)15(20)19-10-8-18(4)9-11-19/h5-7,12,17H,8-11H2,1-4H3
InChIKeyBKMSCVVQROJWSS-UHFFFAOYSA-N
XLogP1.15
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.46
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-tert-butyl-3-(4-methylpiperazine-1-carbonyl)benzenesulfonamide 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

N-methyl-3-(4-methylpiperazine-1-carbonyl)benzenesulfonamide
CID 51160647
N-butyl-3-(4-methylpiperazine-1-carbonyl)benzenesulfonamide
CID 17226728
N-tert-butyl-3-[4-[(2-methylphenyl)methyl]piperazine-1-carbonyl]benzenesulfonamide
CID 8641874
N-benzyl-3-(4-methyl-1,4-diazepane-1-carbonyl)benzenesulfonamide
CID 78785231
N-(4-methoxyphenyl)-3-(4-methylpiperazine-1-carbonyl)benzenesulfonamide
CID 7908038
[4-(benzenesulfonyl)piperazin-1-yl]-[3-(4-methylpiperazin-1-yl)sulfonylphenyl]methanone
CID 55339492
N-tert-butyl-3-[2-[3-(4-methylpiperazine-1-carbonyl)anilino]pyrrolo[2,1-f][1,2,4]triazin-7-yl]benzenesulfonamide
CID 66711584
N-(4-tert-butylphenyl)-3-(pyrrolidine-1-carbonyl)benzenesulfonamide
CID 47946378
4-[3-(4-methylpiperazin-1-yl)sulfonylbenzoyl]piperazine-1-carbaldehyde
CID 110408530
CID 174584749
CID 174584749
3-[4-(tert-butylsulfamoyl)phenyl]-N-[4-(4-methylpiperazine-1-carbonyl)phenyl]propanamide
CID 99968168
N-butyl-3-(pyrrolidine-1-carbonyl)benzenesulfonamide
CID 17226649

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-3-(4-methylpiperazine-1-carbonyl)benzenesulfonamide?
The IUPAC name of N-tert-butyl-3-(4-methylpiperazine-1-carbonyl)benzenesulfonamide (CID 109064276) is N-tert-butyl-3-(4-methylpiperazine-1-carbonyl)benzenesulfonamide.
What is the SMILES notation for N-tert-butyl-3-(4-methylpiperazine-1-carbonyl)benzenesulfonamide?
The canonical SMILES for N-tert-butyl-3-(4-methylpiperazine-1-carbonyl)benzenesulfonamide is CN1CCN(C(=O)c2cccc(S(=O)(=O)NC(C)(C)C)c2)CC1.
What is the InChIKey of N-tert-butyl-3-(4-methylpiperazine-1-carbonyl)benzenesulfonamide?
The InChIKey is BKMSCVVQROJWSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O3S/c1-16(2,3)17-23(21,22)14-7-5-6-13(12-14)15(20)19-10-8-18(4)9-11-19/h5-7,12,17H,8-11H2,1-4H3.
What are the key properties of N-tert-butyl-3-(4-methylpiperazine-1-carbonyl)benzenesulfonamide?
N-tert-butyl-3-(4-methylpiperazine-1-carbonyl)benzenesulfonamide has a molecular weight of 339.46 g/mol, XLogP of 1.15, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-3-(4-methylpiperazine-1-carbonyl)benzenesulfonamide is sourced from PubChem (CID 109064276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).