3-amino-N-methyl-4-(4-propylpiperazin-1-yl)benzenesulfonamide

C14H24N4O2S — CID 43449093

IUPAC3-amino-N-methyl-4-(4-propylpiperazin-1-yl)benzenesulfonamide
SMILESCCCN1CCN(c2ccc(S(=O)(=O)NC)cc2N)CC1
InChIInChI=1S/C14H24N4O2S/c1-3-6-17-7-9-18(10-8-17)14-5-4-12(11-13(14)15)21(19,20)16-2/h4-5,11,16H,3,6-10,15H2,1-2H3
InChIKeyIAEVRQVKGHHGCM-UHFFFAOYSA-N
MW312.44 g/mol
LogP0.71
Rot. Bonds5

About 3-amino-N-methyl-4-(4-propylpiperazin-1-yl)benzenesulfonamide

3-amino-N-methyl-4-(4-propylpiperazin-1-yl)benzenesulfonamide (PubChem CID 43449093) has the molecular formula C14H24N4O2S and a molecular weight of 312.44 g/mol. Its IUPAC name is 3-amino-N-methyl-4-(4-propylpiperazin-1-yl)benzenesulfonamide.

Molecular Properties

Compound Name3-amino-N-methyl-4-(4-propylpiperazin-1-yl)benzenesulfonamide
PubChem CID43449093
Molecular FormulaC14H24N4O2S
Molecular Weight312.44 g/mol
Exact Mass312.16
IUPAC Name3-amino-N-methyl-4-(4-propylpiperazin-1-yl)benzenesulfonamide
SMILESCCCN1CCN(c2ccc(S(=O)(=O)NC)cc2N)CC1
InChIInChI=1S/C14H24N4O2S/c1-3-6-17-7-9-18(10-8-17)14-5-4-12(11-13(14)15)21(19,20)16-2/h4-5,11,16H,3,6-10,15H2,1-2H3
InChIKeyIAEVRQVKGHHGCM-UHFFFAOYSA-N
XLogP0.71
TPSA78.67 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.44
LogP ≤ 50.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5-methylsulfonyl-2-(4-propylpiperazin-1-yl)aniline
CID 43447932
3-amino-4-(azepan-1-yl)-N-methylbenzenesulfonamide
CID 43449085
3-amino-N-methyl-4-(4-methylpiperidin-1-yl)benzenesulfonamide
CID 43449076
3-amino-4-(1,1-dioxo-1,4-thiazinan-4-yl)-N-methylbenzenesulfonamide
CID 43581378
4-amino-3-(azepan-1-yl)-N-methylbenzenesulfonamide
CID 82899212
3-bromo-N-methyl-4-(4-methylpiperazin-1-yl)benzenesulfonamide
CID 156599254
4-amino-3-(4-hydroxypiperidin-1-yl)-N-methylbenzenesulfonamide
CID 82899314
2-nitro-3-(4-propylpiperazin-1-yl)aniline
CID 80756430
5-bromo-2-(4-pentylpiperazin-1-yl)aniline
CID 117013663
3-[(4-ethylphenyl)sulfonylamino]-4-(4-propylpiperazin-1-yl)benzoic acid
CID 46291772
4-(4-benzylpiperazin-1-yl)-N-methyl-3-nitrobenzenesulfonamide
CID 9187044
3-amino-4-butoxy-N-methylbenzenesulfonamide
CID 43449328

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-methyl-4-(4-propylpiperazin-1-yl)benzenesulfonamide?
The IUPAC name of 3-amino-N-methyl-4-(4-propylpiperazin-1-yl)benzenesulfonamide (CID 43449093) is 3-amino-N-methyl-4-(4-propylpiperazin-1-yl)benzenesulfonamide.
What is the SMILES notation for 3-amino-N-methyl-4-(4-propylpiperazin-1-yl)benzenesulfonamide?
The canonical SMILES for 3-amino-N-methyl-4-(4-propylpiperazin-1-yl)benzenesulfonamide is CCCN1CCN(c2ccc(S(=O)(=O)NC)cc2N)CC1.
What is the InChIKey of 3-amino-N-methyl-4-(4-propylpiperazin-1-yl)benzenesulfonamide?
The InChIKey is IAEVRQVKGHHGCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O2S/c1-3-6-17-7-9-18(10-8-17)14-5-4-12(11-13(14)15)21(19,20)16-2/h4-5,11,16H,3,6-10,15H2,1-2H3.
What are the key properties of 3-amino-N-methyl-4-(4-propylpiperazin-1-yl)benzenesulfonamide?
3-amino-N-methyl-4-(4-propylpiperazin-1-yl)benzenesulfonamide has a molecular weight of 312.44 g/mol, XLogP of 0.71, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-methyl-4-(4-propylpiperazin-1-yl)benzenesulfonamide is sourced from PubChem (CID 43449093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).