4-methyl-N-[(5-propyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl)methyl]benzenesulfonamide

C18H26N4O2S — CID 70771708

IUPAC4-methyl-N-[(5-propyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl)methyl]benzenesulfonamide
SMILESCCCN1CCCn2nc(CNS(=O)(=O)c3ccc(C)cc3)cc2C1
InChIInChI=1S/C18H26N4O2S/c1-3-9-21-10-4-11-22-17(14-21)12-16(20-22)13-19-25(23,24)18-7-5-15(2)6-8-18/h5-8,12,19H,3-4,9-11,13-14H2,1-2H3
InChIKeyLDDRTOLMPMPPSJ-UHFFFAOYSA-N
MW362.50 g/mol
LogP2.29
Rot. Bonds6

About 4-methyl-N-[(5-propyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl)methyl]benzenesulfonamide

4-methyl-N-[(5-propyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl)methyl]benzenesulfonamide (PubChem CID 70771708) has the molecular formula C18H26N4O2S and a molecular weight of 362.50 g/mol. Its IUPAC name is 4-methyl-N-[(5-propyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl)methyl]benzenesulfonamide.

Molecular Properties

Compound Name4-methyl-N-[(5-propyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl)methyl]benzenesulfonamide
PubChem CID70771708
Molecular FormulaC18H26N4O2S
Molecular Weight362.50 g/mol
Exact Mass362.18
IUPAC Name4-methyl-N-[(5-propyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl)methyl]benzenesulfonamide
SMILESCCCN1CCCn2nc(CNS(=O)(=O)c3ccc(C)cc3)cc2C1
InChIInChI=1S/C18H26N4O2S/c1-3-9-21-10-4-11-22-17(14-21)12-16(20-22)13-19-25(23,24)18-7-5-15(2)6-8-18/h5-8,12,19H,3-4,9-11,13-14H2,1-2H3
InChIKeyLDDRTOLMPMPPSJ-UHFFFAOYSA-N
XLogP2.29
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.50
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[(5-propyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl)methyl]benzenesulfonamide?
The IUPAC name of 4-methyl-N-[(5-propyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl)methyl]benzenesulfonamide (CID 70771708) is 4-methyl-N-[(5-propyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl)methyl]benzenesulfonamide.
What is the SMILES notation for 4-methyl-N-[(5-propyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl)methyl]benzenesulfonamide?
The canonical SMILES for 4-methyl-N-[(5-propyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl)methyl]benzenesulfonamide is CCCN1CCCn2nc(CNS(=O)(=O)c3ccc(C)cc3)cc2C1.
What is the InChIKey of 4-methyl-N-[(5-propyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl)methyl]benzenesulfonamide?
The InChIKey is LDDRTOLMPMPPSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4O2S/c1-3-9-21-10-4-11-22-17(14-21)12-16(20-22)13-19-25(23,24)18-7-5-15(2)6-8-18/h5-8,12,19H,3-4,9-11,13-14H2,1-2H3.
What are the key properties of 4-methyl-N-[(5-propyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl)methyl]benzenesulfonamide?
4-methyl-N-[(5-propyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl)methyl]benzenesulfonamide has a molecular weight of 362.50 g/mol, XLogP of 2.29, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[(5-propyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl)methyl]benzenesulfonamide is sourced from PubChem (CID 70771708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).