N-cyclopropyl-4-(2,5-dimethylpiperazin-1-yl)benzenesulfonamide

C15H23N3O2S — CID 64983798

IUPACN-cyclopropyl-4-(2,5-dimethylpiperazin-1-yl)benzenesulfonamide
SMILESCC1CN(c2ccc(S(=O)(=O)NC3CC3)cc2)C(C)CN1
InChIInChI=1S/C15H23N3O2S/c1-11-10-18(12(2)9-16-11)14-5-7-15(8-6-14)21(19,20)17-13-3-4-13/h5-8,11-13,16-17H,3-4,9-10H2,1-2H3
InChIKeyAIWBKLVNYFAXAE-UHFFFAOYSA-N
MW309.43 g/mol
LogP1.31
Rot. Bonds4

About N-cyclopropyl-4-(2,5-dimethylpiperazin-1-yl)benzenesulfonamide

N-cyclopropyl-4-(2,5-dimethylpiperazin-1-yl)benzenesulfonamide (PubChem CID 64983798) has the molecular formula C15H23N3O2S and a molecular weight of 309.43 g/mol. Its IUPAC name is N-cyclopropyl-4-(2,5-dimethylpiperazin-1-yl)benzenesulfonamide.

Molecular Properties

Compound NameN-cyclopropyl-4-(2,5-dimethylpiperazin-1-yl)benzenesulfonamide
PubChem CID64983798
Molecular FormulaC15H23N3O2S
Molecular Weight309.43 g/mol
Exact Mass309.15
IUPAC NameN-cyclopropyl-4-(2,5-dimethylpiperazin-1-yl)benzenesulfonamide
SMILESCC1CN(c2ccc(S(=O)(=O)NC3CC3)cc2)C(C)CN1
InChIInChI=1S/C15H23N3O2S/c1-11-10-18(12(2)9-16-11)14-5-7-15(8-6-14)21(19,20)17-13-3-4-13/h5-8,11-13,16-17H,3-4,9-10H2,1-2H3
InChIKeyAIWBKLVNYFAXAE-UHFFFAOYSA-N
XLogP1.31
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.43
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(2,5-dimethylpiperazin-1-yl)-N-propan-2-ylbenzenesulfonamide
CID 64983236
4-(2,5-dimethylpiperazin-1-yl)-N-propylbenzenesulfonamide
CID 64983752
N-cyclopropyl-4-(4-hydroxy-3-methylpiperidin-1-yl)benzenesulfonamide
CID 114680950
2,5-dimethyl-1-[4-(trifluoromethyl)phenyl]piperazine
CID 11565121
(2S)-2,5-dimethyl-1-[4-(trifluoromethyl)phenyl]piperazine
CID 70804072
4-(4-amino-3-methylpiperidin-1-yl)-N-cyclopropylbenzenesulfonamide
CID 79874852
1-(4-ethoxyphenyl)-2,5-dimethylpiperazine
CID 64951879
N-cyclopropyl-4-(4-hydroxy-4-methylpiperidin-1-yl)benzenesulfonamide
CID 81107725
N-cyclopropyl-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide
CID 22695508
(2S,5R)-1-(3-methoxy-4-nitrophenyl)-2,5-dimethylpiperazine
CID 68593129
N-cyclopropyl-4-phenylbenzenesulfonamide
CID 110757630
N-[4-(methylamino)cyclohexyl]benzenesulfonamide
CID 43653533

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-4-(2,5-dimethylpiperazin-1-yl)benzenesulfonamide?
The IUPAC name of N-cyclopropyl-4-(2,5-dimethylpiperazin-1-yl)benzenesulfonamide (CID 64983798) is N-cyclopropyl-4-(2,5-dimethylpiperazin-1-yl)benzenesulfonamide.
What is the SMILES notation for N-cyclopropyl-4-(2,5-dimethylpiperazin-1-yl)benzenesulfonamide?
The canonical SMILES for N-cyclopropyl-4-(2,5-dimethylpiperazin-1-yl)benzenesulfonamide is CC1CN(c2ccc(S(=O)(=O)NC3CC3)cc2)C(C)CN1.
What is the InChIKey of N-cyclopropyl-4-(2,5-dimethylpiperazin-1-yl)benzenesulfonamide?
The InChIKey is AIWBKLVNYFAXAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O2S/c1-11-10-18(12(2)9-16-11)14-5-7-15(8-6-14)21(19,20)17-13-3-4-13/h5-8,11-13,16-17H,3-4,9-10H2,1-2H3.
What are the key properties of N-cyclopropyl-4-(2,5-dimethylpiperazin-1-yl)benzenesulfonamide?
N-cyclopropyl-4-(2,5-dimethylpiperazin-1-yl)benzenesulfonamide has a molecular weight of 309.43 g/mol, XLogP of 1.31, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-4-(2,5-dimethylpiperazin-1-yl)benzenesulfonamide is sourced from PubChem (CID 64983798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).