7-methoxy-2-methyl-1-oxo-4-[4-[(sulfamoylamino)methyl]phenyl]phthalazine

C17H18N4O4S — CID 157040151

IUPAC7-methoxy-2-methyl-1-oxo-4-[4-[(sulfamoylamino)methyl]phenyl]phthalazine
SMILESCOc1ccc2c(-c3ccc(CNS(N)(=O)=O)cc3)nn(C)c(=O)c2c1
InChIInChI=1S/C17H18N4O4S/c1-21-17(22)15-9-13(25-2)7-8-14(15)16(20-21)12-5-3-11(4-6-12)10-19-26(18,23)24/h3-9,19H,10H2,1-2H3,(H2,18,23,24)
InChIKeyZPFZRJNAXBAEGM-UHFFFAOYSA-N
MW374.42 g/mol
LogP0.90
Rot. Bonds5

About 7-methoxy-2-methyl-1-oxo-4-[4-[(sulfamoylamino)methyl]phenyl]phthalazine

7-methoxy-2-methyl-1-oxo-4-[4-[(sulfamoylamino)methyl]phenyl]phthalazine (PubChem CID 157040151) has the molecular formula C17H18N4O4S and a molecular weight of 374.42 g/mol. Its IUPAC name is 7-methoxy-2-methyl-1-oxo-4-[4-[(sulfamoylamino)methyl]phenyl]phthalazine.

Molecular Properties

Compound Name7-methoxy-2-methyl-1-oxo-4-[4-[(sulfamoylamino)methyl]phenyl]phthalazine
PubChem CID157040151
Molecular FormulaC17H18N4O4S
Molecular Weight374.42 g/mol
Exact Mass374.10
IUPAC Name7-methoxy-2-methyl-1-oxo-4-[4-[(sulfamoylamino)methyl]phenyl]phthalazine
SMILESCOc1ccc2c(-c3ccc(CNS(N)(=O)=O)cc3)nn(C)c(=O)c2c1
InChIInChI=1S/C17H18N4O4S/c1-21-17(22)15-9-13(25-2)7-8-14(15)16(20-21)12-5-3-11(4-6-12)10-19-26(18,23)24/h3-9,19H,10H2,1-2H3,(H2,18,23,24)
InChIKeyZPFZRJNAXBAEGM-UHFFFAOYSA-N
XLogP0.90
TPSA116.31 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.42
LogP ≤ 50.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

6,7-dimethoxy-2-methyl-1-oxo-4-[4-[(sulfamoylamino)methyl]phenyl]phthalazine
CID 157040030
7-methoxy-1-oxo-4-[4-[(sulfamoylamino)methyl]phenyl]-2H-phthalazine;hydrochloride
CID 157040020
tert-butyl N-[[4-(7-methoxy-3-methyl-4-oxophthalazin-1-yl)phenyl]methyl]carbamate
CID 157040088
tert-butyl N-[[4-(7-methoxy-3-methyl-4-oxophthalazin-1-yl)phenyl]methyl]-N-sulfamoylcarbamate
CID 175357170
N-methyl-1-[4-(3-methyl-4-oxophthalazin-1-yl)phenyl]methanesulfonamide
CID 157040140
tert-butyl N-[[4-(6-methoxy-4-oxo-3H-phthalazin-1-yl)phenyl]methylsulfamoyl]carbamate
CID 157040016
2-ethyl-N-[(3-methoxyphenyl)methyl]-5-(3-methyl-4-oxo-5,6,7,8-tetrahydrophthalazin-1-yl)benzenesulfonamide
CID 50751299
1-methyl-4-[(sulfamoylamino)methyl]benzene
CID 21041221
N-(4-methoxyphenyl)-4-(3-methyl-4-oxophthalazin-1-yl)benzamide
CID 1087197
7-methoxy-1-oxo-4-[4-[(sulfinoamino)methyl]phenyl]-2H-phthalazine
CID 166523636
1-[4-(5-methoxy-1-methylindazol-3-yl)phenyl]-3-(pyridin-4-ylmethyl)urea
CID 135223353
2-[4-(3-methyl-4-oxophthalazin-1-yl)phenoxy]-N-propan-2-ylacetamide
CID 2025937

Frequently Asked Questions

What is the IUPAC name of 7-methoxy-2-methyl-1-oxo-4-[4-[(sulfamoylamino)methyl]phenyl]phthalazine?
The IUPAC name of 7-methoxy-2-methyl-1-oxo-4-[4-[(sulfamoylamino)methyl]phenyl]phthalazine (CID 157040151) is 7-methoxy-2-methyl-1-oxo-4-[4-[(sulfamoylamino)methyl]phenyl]phthalazine.
What is the SMILES notation for 7-methoxy-2-methyl-1-oxo-4-[4-[(sulfamoylamino)methyl]phenyl]phthalazine?
The canonical SMILES for 7-methoxy-2-methyl-1-oxo-4-[4-[(sulfamoylamino)methyl]phenyl]phthalazine is COc1ccc2c(-c3ccc(CNS(N)(=O)=O)cc3)nn(C)c(=O)c2c1.
What is the InChIKey of 7-methoxy-2-methyl-1-oxo-4-[4-[(sulfamoylamino)methyl]phenyl]phthalazine?
The InChIKey is ZPFZRJNAXBAEGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O4S/c1-21-17(22)15-9-13(25-2)7-8-14(15)16(20-21)12-5-3-11(4-6-12)10-19-26(18,23)24/h3-9,19H,10H2,1-2H3,(H2,18,23,24).
What are the key properties of 7-methoxy-2-methyl-1-oxo-4-[4-[(sulfamoylamino)methyl]phenyl]phthalazine?
7-methoxy-2-methyl-1-oxo-4-[4-[(sulfamoylamino)methyl]phenyl]phthalazine has a molecular weight of 374.42 g/mol, XLogP of 0.90, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-2-methyl-1-oxo-4-[4-[(sulfamoylamino)methyl]phenyl]phthalazine is sourced from PubChem (CID 157040151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).