N-[(5-methylfuran-2-yl)methyl]-1-oxo-2,3,4,5-tetrahydropyrrolo[1,2-a][1,4]diazepine-8-sulfonamide

C14H17N3O4S — CID 53182801

IUPACN-[(5-methylfuran-2-yl)methyl]-1-oxo-2,3,4,5-tetrahydropyrrolo[1,2-a][1,4]diazepine-8-sulfonamide
SMILESCc1ccc(CNS(=O)(=O)c2cc3n(c2)CCCNC3=O)o1
InChIInChI=1S/C14H17N3O4S/c1-10-3-4-11(21-10)8-16-22(19,20)12-7-13-14(18)15-5-2-6-17(13)9-12/h3-4,7,9,16H,2,5-6,8H2,1H3,(H,15,18)
InChIKeyTUGIOHLWTFJURF-UHFFFAOYSA-N
MW323.37 g/mol
LogP1.00
Rot. Bonds4

About N-[(5-methylfuran-2-yl)methyl]-1-oxo-2,3,4,5-tetrahydropyrrolo[1,2-a][1,4]diazepine-8-sulfonamide

N-[(5-methylfuran-2-yl)methyl]-1-oxo-2,3,4,5-tetrahydropyrrolo[1,2-a][1,4]diazepine-8-sulfonamide (PubChem CID 53182801) has the molecular formula C14H17N3O4S and a molecular weight of 323.37 g/mol. Its IUPAC name is N-[(5-methylfuran-2-yl)methyl]-1-oxo-2,3,4,5-tetrahydropyrrolo[1,2-a][1,4]diazepine-8-sulfonamide.

Molecular Properties

Compound NameN-[(5-methylfuran-2-yl)methyl]-1-oxo-2,3,4,5-tetrahydropyrrolo[1,2-a][1,4]diazepine-8-sulfonamide
PubChem CID53182801
Molecular FormulaC14H17N3O4S
Molecular Weight323.37 g/mol
Exact Mass323.09
IUPAC NameN-[(5-methylfuran-2-yl)methyl]-1-oxo-2,3,4,5-tetrahydropyrrolo[1,2-a][1,4]diazepine-8-sulfonamide
SMILESCc1ccc(CNS(=O)(=O)c2cc3n(c2)CCCNC3=O)o1
InChIInChI=1S/C14H17N3O4S/c1-10-3-4-11(21-10)8-16-22(19,20)12-7-13-14(18)15-5-2-6-17(13)9-12/h3-4,7,9,16H,2,5-6,8H2,1H3,(H,15,18)
InChIKeyTUGIOHLWTFJURF-UHFFFAOYSA-N
XLogP1.00
TPSA93.34 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.37
LogP ≤ 51.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-methoxy-2-methylphenyl)-1-oxo-2,3,4,5-tetrahydropyrrolo[1,2-a][1,4]diazepine-8-sulfonamide
CID 53182833
4-fluoro-N-[(5-methylfuran-2-yl)methyl]benzenesulfonamide
CID 55081647
N-[(5-methylfuran-2-yl)methyl]benzenesulfonamide
CID 64584740
N-[(5-methylfuran-2-yl)methyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 39855189
N-(2-chloro-4-fluorophenyl)-1-oxo-2,3,4,5-tetrahydropyrrolo[1,2-a][1,4]diazepine-8-sulfonamide
CID 53182802
3-fluoro-N-[(5-methylfuran-2-yl)methyl]benzenesulfonamide
CID 25039893
2-chloro-N-[(5-methylfuran-2-yl)methyl]pyridine-4-sulfonamide
CID 62524558
1-methyl-N-[(5-methylfuran-2-yl)methyl]-5-[4-methyl-5-(piperidine-1-carbonyl)-1,3-thiazol-2-yl]pyrrole-3-sulfonamide
CID 53138748
N-[(5-methylfuran-2-yl)methyl]-2-(2-methylpyrazole-3-carbonyl)-3,4-dihydro-1H-isoquinoline-7-sulfonamide
CID 70727934
N-ethyl-N-(3-methylphenyl)-1-oxo-2,3,4,5-tetrahydropyrrolo[1,2-a][1,4]diazepine-8-sulfonamide
CID 53182791
4-(bromomethyl)-N-[(5-methylfuran-2-yl)methyl]benzenesulfonamide
CID 65481426
N-[(5-methylfuran-2-yl)methyl]-1-pyridin-2-ylpyrazole-4-sulfonamide
CID 71688165

Frequently Asked Questions

What is the IUPAC name of N-[(5-methylfuran-2-yl)methyl]-1-oxo-2,3,4,5-tetrahydropyrrolo[1,2-a][1,4]diazepine-8-sulfonamide?
The IUPAC name of N-[(5-methylfuran-2-yl)methyl]-1-oxo-2,3,4,5-tetrahydropyrrolo[1,2-a][1,4]diazepine-8-sulfonamide (CID 53182801) is N-[(5-methylfuran-2-yl)methyl]-1-oxo-2,3,4,5-tetrahydropyrrolo[1,2-a][1,4]diazepine-8-sulfonamide.
What is the SMILES notation for N-[(5-methylfuran-2-yl)methyl]-1-oxo-2,3,4,5-tetrahydropyrrolo[1,2-a][1,4]diazepine-8-sulfonamide?
The canonical SMILES for N-[(5-methylfuran-2-yl)methyl]-1-oxo-2,3,4,5-tetrahydropyrrolo[1,2-a][1,4]diazepine-8-sulfonamide is Cc1ccc(CNS(=O)(=O)c2cc3n(c2)CCCNC3=O)o1.
What is the InChIKey of N-[(5-methylfuran-2-yl)methyl]-1-oxo-2,3,4,5-tetrahydropyrrolo[1,2-a][1,4]diazepine-8-sulfonamide?
The InChIKey is TUGIOHLWTFJURF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O4S/c1-10-3-4-11(21-10)8-16-22(19,20)12-7-13-14(18)15-5-2-6-17(13)9-12/h3-4,7,9,16H,2,5-6,8H2,1H3,(H,15,18).
What are the key properties of N-[(5-methylfuran-2-yl)methyl]-1-oxo-2,3,4,5-tetrahydropyrrolo[1,2-a][1,4]diazepine-8-sulfonamide?
N-[(5-methylfuran-2-yl)methyl]-1-oxo-2,3,4,5-tetrahydropyrrolo[1,2-a][1,4]diazepine-8-sulfonamide has a molecular weight of 323.37 g/mol, XLogP of 1.00, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-methylfuran-2-yl)methyl]-1-oxo-2,3,4,5-tetrahydropyrrolo[1,2-a][1,4]diazepine-8-sulfonamide is sourced from PubChem (CID 53182801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).