N-(1-methylcyclopropyl)quinazoline-6-sulfonamide

C12H13N3O2S — CID 176943922

IUPACN-(1-methylcyclopropyl)quinazoline-6-sulfonamide
SMILESCC1(NS(=O)(=O)c2ccc3ncncc3c2)CC1
InChIInChI=1S/C12H13N3O2S/c1-12(4-5-12)15-18(16,17)10-2-3-11-9(6-10)7-13-8-14-11/h2-3,6-8,15H,4-5H2,1H3
InChIKeyUBLRODLGNDGSFT-UHFFFAOYSA-N
MW263.32 g/mol
LogP1.46
Rot. Bonds3

About N-(1-methylcyclopropyl)quinazoline-6-sulfonamide

N-(1-methylcyclopropyl)quinazoline-6-sulfonamide (PubChem CID 176943922) has the molecular formula C12H13N3O2S and a molecular weight of 263.32 g/mol. Its IUPAC name is N-(1-methylcyclopropyl)quinazoline-6-sulfonamide.

Molecular Properties

Compound NameN-(1-methylcyclopropyl)quinazoline-6-sulfonamide
PubChem CID176943922
Molecular FormulaC12H13N3O2S
Molecular Weight263.32 g/mol
Exact Mass263.07
IUPAC NameN-(1-methylcyclopropyl)quinazoline-6-sulfonamide
SMILESCC1(NS(=O)(=O)c2ccc3ncncc3c2)CC1
InChIInChI=1S/C12H13N3O2S/c1-12(4-5-12)15-18(16,17)10-2-3-11-9(6-10)7-13-8-14-11/h2-3,6-8,15H,4-5H2,1H3
InChIKeyUBLRODLGNDGSFT-UHFFFAOYSA-N
XLogP1.46
TPSA71.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.32
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-methylpiperazin-1-yl)quinazoline-6-sulfonamide
CID 176943928
N-(1-methylcyclopropyl)thieno[2,3-b]pyridine-5-sulfonamide
CID 146108460
6-chloro-N-(1-methylcyclopropyl)pyridine-3-sulfonamide
CID 115634619
N-(1-methylcyclopropyl)-2-oxobenzimidazole-5-sulfonamide
CID 121415915
N-(1-methyltriazol-4-yl)quinazoline-6-sulfonamide
CID 176943914
N-(1-methylcyclopropyl)benzenesulfonamide
CID 67608807
3-bromo-N-(1-methylcyclopropyl)benzenesulfonamide
CID 115634617
4-[(1-methylcyclobutyl)sulfamoyl]benzenesulfonyl chloride
CID 113485497
6-(methylamino)-N-(1-methylcyclohexyl)pyridine-3-sulfonamide
CID 62158085
4-[(1-methylcyclohexyl)sulfamoyl]benzenesulfonyl fluoride
CID 114958260
3-[(1-methylcyclopentyl)sulfamoyl]benzenesulfonyl fluoride
CID 114958356
1,4-dichloro-N-(4-methyloxan-4-yl)isoquinoline-7-sulfonamide
CID 59106408

Frequently Asked Questions

What is the IUPAC name of N-(1-methylcyclopropyl)quinazoline-6-sulfonamide?
The IUPAC name of N-(1-methylcyclopropyl)quinazoline-6-sulfonamide (CID 176943922) is N-(1-methylcyclopropyl)quinazoline-6-sulfonamide.
What is the SMILES notation for N-(1-methylcyclopropyl)quinazoline-6-sulfonamide?
The canonical SMILES for N-(1-methylcyclopropyl)quinazoline-6-sulfonamide is CC1(NS(=O)(=O)c2ccc3ncncc3c2)CC1.
What is the InChIKey of N-(1-methylcyclopropyl)quinazoline-6-sulfonamide?
The InChIKey is UBLRODLGNDGSFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O2S/c1-12(4-5-12)15-18(16,17)10-2-3-11-9(6-10)7-13-8-14-11/h2-3,6-8,15H,4-5H2,1H3.
What are the key properties of N-(1-methylcyclopropyl)quinazoline-6-sulfonamide?
N-(1-methylcyclopropyl)quinazoline-6-sulfonamide has a molecular weight of 263.32 g/mol, XLogP of 1.46, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methylcyclopropyl)quinazoline-6-sulfonamide is sourced from PubChem (CID 176943922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).