1-(3-hydroxyphenyl)-8-(methanesulfonamido)-4,5-dihydrobenzo[g]indazole-3-carboxamide

C19H18N4O4S — CID 18438731

IUPAC1-(3-hydroxyphenyl)-8-(methanesulfonamido)-4,5-dihydrobenzo[g]indazole-3-carboxamide
SMILESCS(=O)(=O)Nc1ccc2c(c1)-c1c(c(C(N)=O)nn1-c1cccc(O)c1)CC2
InChIInChI=1S/C19H18N4O4S/c1-28(26,27)22-12-7-5-11-6-8-15-17(19(20)25)21-23(18(15)16(11)9-12)13-3-2-4-14(24)10-13/h2-5,7,9-10,22,24H,6,8H2,1H3,(H2,20,25)
InChIKeyZSMCMOQXXNWNTR-UHFFFAOYSA-N
MW398.44 g/mol
LogP1.81
Rot. Bonds4

About 1-(3-hydroxyphenyl)-8-(methanesulfonamido)-4,5-dihydrobenzo[g]indazole-3-carboxamide

1-(3-hydroxyphenyl)-8-(methanesulfonamido)-4,5-dihydrobenzo[g]indazole-3-carboxamide (PubChem CID 18438731) has the molecular formula C19H18N4O4S and a molecular weight of 398.44 g/mol. Its IUPAC name is 1-(3-hydroxyphenyl)-8-(methanesulfonamido)-4,5-dihydrobenzo[g]indazole-3-carboxamide.

Molecular Properties

Compound Name1-(3-hydroxyphenyl)-8-(methanesulfonamido)-4,5-dihydrobenzo[g]indazole-3-carboxamide
PubChem CID18438731
Molecular FormulaC19H18N4O4S
Molecular Weight398.44 g/mol
Exact Mass398.10
IUPAC Name1-(3-hydroxyphenyl)-8-(methanesulfonamido)-4,5-dihydrobenzo[g]indazole-3-carboxamide
SMILESCS(=O)(=O)Nc1ccc2c(c1)-c1c(c(C(N)=O)nn1-c1cccc(O)c1)CC2
InChIInChI=1S/C19H18N4O4S/c1-28(26,27)22-12-7-5-11-6-8-15-17(19(20)25)21-23(18(15)16(11)9-12)13-3-2-4-14(24)10-13/h2-5,7,9-10,22,24H,6,8H2,1H3,(H2,20,25)
InChIKeyZSMCMOQXXNWNTR-UHFFFAOYSA-N
XLogP1.81
TPSA127.31 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.44
LogP ≤ 51.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(3-hydroxyphenyl)-8-(methanesulfonamido)-4,5-dihydrobenzo[g]indazole-3-carboxamide?
The IUPAC name of 1-(3-hydroxyphenyl)-8-(methanesulfonamido)-4,5-dihydrobenzo[g]indazole-3-carboxamide (CID 18438731) is 1-(3-hydroxyphenyl)-8-(methanesulfonamido)-4,5-dihydrobenzo[g]indazole-3-carboxamide.
What is the SMILES notation for 1-(3-hydroxyphenyl)-8-(methanesulfonamido)-4,5-dihydrobenzo[g]indazole-3-carboxamide?
The canonical SMILES for 1-(3-hydroxyphenyl)-8-(methanesulfonamido)-4,5-dihydrobenzo[g]indazole-3-carboxamide is CS(=O)(=O)Nc1ccc2c(c1)-c1c(c(C(N)=O)nn1-c1cccc(O)c1)CC2.
What is the InChIKey of 1-(3-hydroxyphenyl)-8-(methanesulfonamido)-4,5-dihydrobenzo[g]indazole-3-carboxamide?
The InChIKey is ZSMCMOQXXNWNTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4O4S/c1-28(26,27)22-12-7-5-11-6-8-15-17(19(20)25)21-23(18(15)16(11)9-12)13-3-2-4-14(24)10-13/h2-5,7,9-10,22,24H,6,8H2,1H3,(H2,20,25).
What are the key properties of 1-(3-hydroxyphenyl)-8-(methanesulfonamido)-4,5-dihydrobenzo[g]indazole-3-carboxamide?
1-(3-hydroxyphenyl)-8-(methanesulfonamido)-4,5-dihydrobenzo[g]indazole-3-carboxamide has a molecular weight of 398.44 g/mol, XLogP of 1.81, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-hydroxyphenyl)-8-(methanesulfonamido)-4,5-dihydrobenzo[g]indazole-3-carboxamide is sourced from PubChem (CID 18438731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).