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

C16H17ClN4O4S — CID 157040020

IUPAC7-methoxy-1-oxo-4-[4-[(sulfamoylamino)methyl]phenyl]-2H-phthalazine;hydrochloride
SMILESCOc1ccc2c(-c3ccc(CNS(N)(=O)=O)cc3)n[nH]c(=O)c2c1.Cl
InChIInChI=1S/C16H16N4O4S.ClH/c1-24-12-6-7-13-14(8-12)16(21)20-19-15(13)11-4-2-10(3-5-11)9-18-25(17,22)23;/h2-8,18H,9H2,1H3,(H,20,21)(H2,17,22,23);1H
InChIKeyKWIBEBRWUXOOKU-UHFFFAOYSA-N
MW396.86 g/mol
LogP1.31
Rot. Bonds5

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

7-methoxy-1-oxo-4-[4-[(sulfamoylamino)methyl]phenyl]-2H-phthalazine;hydrochloride (PubChem CID 157040020) has the molecular formula C16H17ClN4O4S and a molecular weight of 396.86 g/mol. Its IUPAC name is 7-methoxy-1-oxo-4-[4-[(sulfamoylamino)methyl]phenyl]-2H-phthalazine;hydrochloride.

Molecular Properties

Compound Name7-methoxy-1-oxo-4-[4-[(sulfamoylamino)methyl]phenyl]-2H-phthalazine;hydrochloride
PubChem CID157040020
Molecular FormulaC16H17ClN4O4S
Molecular Weight396.86 g/mol
Exact Mass396.07
IUPAC Name7-methoxy-1-oxo-4-[4-[(sulfamoylamino)methyl]phenyl]-2H-phthalazine;hydrochloride
SMILESCOc1ccc2c(-c3ccc(CNS(N)(=O)=O)cc3)n[nH]c(=O)c2c1.Cl
InChIInChI=1S/C16H16N4O4S.ClH/c1-24-12-6-7-13-14(8-12)16(21)20-19-15(13)11-4-2-10(3-5-11)9-18-25(17,22)23;/h2-8,18H,9H2,1H3,(H,20,21)(H2,17,22,23);1H
InChIKeyKWIBEBRWUXOOKU-UHFFFAOYSA-N
XLogP1.31
TPSA127.17 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.86
LogP ≤ 51.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

7-methoxy-2-methyl-1-oxo-4-[4-[(sulfamoylamino)methyl]phenyl]phthalazine
CID 157040151
tert-butyl N-[[4-(6-methoxy-4-oxo-3H-phthalazin-1-yl)phenyl]methylsulfamoyl]carbamate
CID 157040016
7-methoxy-1-oxo-4-[4-[(sulfinoamino)methyl]phenyl]-2H-phthalazine
CID 166523636
7-methoxy-4-[4-(methylamino)phenyl]-2H-phthalazin-1-one
CID 175357159
6,7-dimethoxy-2-methyl-1-oxo-4-[4-[(sulfamoylamino)methyl]phenyl]phthalazine
CID 157040030
6,7-dimethoxy-1-oxo-4-[4-[(sulfinoamino)methyl]phenyl]-2H-phthalazine
CID 166523640
1-methyl-4-[(sulfamoylamino)methyl]benzene
CID 21041221
7-amino-4-[(4-methoxyphenyl)methyl]-2H-phthalazin-1-one
CID 69152626
1-(2-hydroxy-2-methylpropyl)-N-[4-(6-methoxy-4-oxo-3H-phthalazin-1-yl)phenyl]indazole-3-carboxamide
CID 90299261
N-[(4-methoxyphenyl)methyl]-5-[5-(trifluoromethyl)-1H-pyrazol-3-yl]thiophene-2-sulfonamide
CID 53083734
5-chloro-3-[(4-methoxyphenyl)methyl]-1H-pyridazin-6-one
CID 117106835
1-oxo-4-[4-[2-(sulfamoylamino)propan-2-yl]phenyl]-2H-phthalazine
CID 157040153

Frequently Asked Questions

What is the IUPAC name of 7-methoxy-1-oxo-4-[4-[(sulfamoylamino)methyl]phenyl]-2H-phthalazine;hydrochloride?
The IUPAC name of 7-methoxy-1-oxo-4-[4-[(sulfamoylamino)methyl]phenyl]-2H-phthalazine;hydrochloride (CID 157040020) is 7-methoxy-1-oxo-4-[4-[(sulfamoylamino)methyl]phenyl]-2H-phthalazine;hydrochloride.
What is the SMILES notation for 7-methoxy-1-oxo-4-[4-[(sulfamoylamino)methyl]phenyl]-2H-phthalazine;hydrochloride?
The canonical SMILES for 7-methoxy-1-oxo-4-[4-[(sulfamoylamino)methyl]phenyl]-2H-phthalazine;hydrochloride is COc1ccc2c(-c3ccc(CNS(N)(=O)=O)cc3)n[nH]c(=O)c2c1.Cl.
What is the InChIKey of 7-methoxy-1-oxo-4-[4-[(sulfamoylamino)methyl]phenyl]-2H-phthalazine;hydrochloride?
The InChIKey is KWIBEBRWUXOOKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4O4S.ClH/c1-24-12-6-7-13-14(8-12)16(21)20-19-15(13)11-4-2-10(3-5-11)9-18-25(17,22)23;/h2-8,18H,9H2,1H3,(H,20,21)(H2,17,22,23);1H.
What are the key properties of 7-methoxy-1-oxo-4-[4-[(sulfamoylamino)methyl]phenyl]-2H-phthalazine;hydrochloride?
7-methoxy-1-oxo-4-[4-[(sulfamoylamino)methyl]phenyl]-2H-phthalazine;hydrochloride has a molecular weight of 396.86 g/mol, XLogP of 1.31, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-1-oxo-4-[4-[(sulfamoylamino)methyl]phenyl]-2H-phthalazine;hydrochloride is sourced from PubChem (CID 157040020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).