4-(4-methylpiperazine-1-carbonyl)-N,N-dipropylbenzenesulfonamide

C18H29N3O3S — CID 1070496

IUPAC4-(4-methylpiperazine-1-carbonyl)-N,N-dipropylbenzenesulfonamide
SMILESCCCN(CCC)S(=O)(=O)c1ccc(C(=O)N2CCN(C)CC2)cc1
InChIInChI=1S/C18H29N3O3S/c1-4-10-21(11-5-2)25(23,24)17-8-6-16(7-9-17)18(22)20-14-12-19(3)13-15-20/h6-9H,4-5,10-15H2,1-3H3
InChIKeyCGDOSIPBYIWYLR-UHFFFAOYSA-N
MW367.52 g/mol
LogP1.88
Rot. Bonds7

About 4-(4-methylpiperazine-1-carbonyl)-N,N-dipropylbenzenesulfonamide

4-(4-methylpiperazine-1-carbonyl)-N,N-dipropylbenzenesulfonamide (PubChem CID 1070496) has the molecular formula C18H29N3O3S and a molecular weight of 367.52 g/mol. Its IUPAC name is 4-(4-methylpiperazine-1-carbonyl)-N,N-dipropylbenzenesulfonamide.

Molecular Properties

Compound Name4-(4-methylpiperazine-1-carbonyl)-N,N-dipropylbenzenesulfonamide
PubChem CID1070496
Molecular FormulaC18H29N3O3S
Molecular Weight367.52 g/mol
Exact Mass367.19
IUPAC Name4-(4-methylpiperazine-1-carbonyl)-N,N-dipropylbenzenesulfonamide
SMILESCCCN(CCC)S(=O)(=O)c1ccc(C(=O)N2CCN(C)CC2)cc1
InChIInChI=1S/C18H29N3O3S/c1-4-10-21(11-5-2)25(23,24)17-8-6-16(7-9-17)18(22)20-14-12-19(3)13-15-20/h6-9H,4-5,10-15H2,1-3H3
InChIKeyCGDOSIPBYIWYLR-UHFFFAOYSA-N
XLogP1.88
TPSA60.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.52
LogP ≤ 51.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(4-methylpiperazine-1-carbonyl)-N,N-dipropylbenzenesulfonamide?
The IUPAC name of 4-(4-methylpiperazine-1-carbonyl)-N,N-dipropylbenzenesulfonamide (CID 1070496) is 4-(4-methylpiperazine-1-carbonyl)-N,N-dipropylbenzenesulfonamide.
What is the SMILES notation for 4-(4-methylpiperazine-1-carbonyl)-N,N-dipropylbenzenesulfonamide?
The canonical SMILES for 4-(4-methylpiperazine-1-carbonyl)-N,N-dipropylbenzenesulfonamide is CCCN(CCC)S(=O)(=O)c1ccc(C(=O)N2CCN(C)CC2)cc1.
What is the InChIKey of 4-(4-methylpiperazine-1-carbonyl)-N,N-dipropylbenzenesulfonamide?
The InChIKey is CGDOSIPBYIWYLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N3O3S/c1-4-10-21(11-5-2)25(23,24)17-8-6-16(7-9-17)18(22)20-14-12-19(3)13-15-20/h6-9H,4-5,10-15H2,1-3H3.
What are the key properties of 4-(4-methylpiperazine-1-carbonyl)-N,N-dipropylbenzenesulfonamide?
4-(4-methylpiperazine-1-carbonyl)-N,N-dipropylbenzenesulfonamide has a molecular weight of 367.52 g/mol, XLogP of 1.88, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methylpiperazine-1-carbonyl)-N,N-dipropylbenzenesulfonamide is sourced from PubChem (CID 1070496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).