3-methoxy-N-[7-[(3-methoxyphenyl)sulfonylamino]-9-oxofluoren-2-yl]benzenesulfonamide

C27H22N2O7S2 — CID 10437549

IUPAC3-methoxy-N-[7-[(3-methoxyphenyl)sulfonylamino]-9-oxofluoren-2-yl]benzenesulfonamide
SMILESCOc1cccc(S(=O)(=O)Nc2ccc3c(c2)C(=O)c2cc(NS(=O)(=O)c4cccc(OC)c4)ccc2-3)c1
InChIInChI=1S/C27H22N2O7S2/c1-35-19-5-3-7-21(15-19)37(31,32)28-17-9-11-23-24-12-10-18(14-26(24)27(30)25(23)13-17)29-38(33,34)22-8-4-6-20(16-22)36-2/h3-16,28-29H,1-2H3
InChIKeyCMPZHWWMMDNMDN-UHFFFAOYSA-N
MW550.61 g/mol
LogP4.52
Rot. Bonds8

About 3-methoxy-N-[7-[(3-methoxyphenyl)sulfonylamino]-9-oxofluoren-2-yl]benzenesulfonamide

3-methoxy-N-[7-[(3-methoxyphenyl)sulfonylamino]-9-oxofluoren-2-yl]benzenesulfonamide (PubChem CID 10437549) has the molecular formula C27H22N2O7S2 and a molecular weight of 550.61 g/mol. Its IUPAC name is 3-methoxy-N-[7-[(3-methoxyphenyl)sulfonylamino]-9-oxofluoren-2-yl]benzenesulfonamide.

Molecular Properties

Compound Name3-methoxy-N-[7-[(3-methoxyphenyl)sulfonylamino]-9-oxofluoren-2-yl]benzenesulfonamide
PubChem CID10437549
Molecular FormulaC27H22N2O7S2
Molecular Weight550.61 g/mol
Exact Mass550.09
IUPAC Name3-methoxy-N-[7-[(3-methoxyphenyl)sulfonylamino]-9-oxofluoren-2-yl]benzenesulfonamide
SMILESCOc1cccc(S(=O)(=O)Nc2ccc3c(c2)C(=O)c2cc(NS(=O)(=O)c4cccc(OC)c4)ccc2-3)c1
InChIInChI=1S/C27H22N2O7S2/c1-35-19-5-3-7-21(15-19)37(31,32)28-17-9-11-23-24-12-10-18(14-26(24)27(30)25(23)13-17)29-38(33,34)22-8-4-6-20(16-22)36-2/h3-16,28-29H,1-2H3
InChIKeyCMPZHWWMMDNMDN-UHFFFAOYSA-N
XLogP4.52
TPSA127.87 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500550.61
LogP ≤ 54.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

3-methoxy-N-(3-methylphenyl)benzenesulfonamide
CID 889782
3-N-(3-methoxyphenyl)benzene-1,3-disulfonamide
CID 31064512
N-(6-bromo-3-pyridinyl)-3-methoxybenzenesulfonamide
CID 103775610
3-methoxy-N-[4-[(3-methoxyphenyl)sulfonylamino]naphthalen-1-yl]benzenesulfonamide
CID 122194678
3,4-dichloro-N-(3-methoxyphenyl)benzenesulfonamide
CID 7745694
4-chloro-N-(3-methoxyphenyl)benzenesulfonamide
CID 819759
4-[[3-[(3-methoxyphenyl)sulfonylamino]benzoyl]amino]benzoic acid
CID 158643553
N-(1,3-dioxoisoindol-5-yl)-4-methoxybenzenesulfonamide
CID 1244571
N-[4-(azepane-1-carbonyl)phenyl]-3-methoxybenzenesulfonamide
CID 984646
2-amino-N-(3-methoxyphenyl)pyridine-4-sulfonamide
CID 55043864
3-[(3-methoxyphenyl)sulfamoyl]-N-propan-2-ylbenzamide
CID 109062201
N-tert-butyl-3-methoxybenzenesulfonamide
CID 10752756

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N-[7-[(3-methoxyphenyl)sulfonylamino]-9-oxofluoren-2-yl]benzenesulfonamide?
The IUPAC name of 3-methoxy-N-[7-[(3-methoxyphenyl)sulfonylamino]-9-oxofluoren-2-yl]benzenesulfonamide (CID 10437549) is 3-methoxy-N-[7-[(3-methoxyphenyl)sulfonylamino]-9-oxofluoren-2-yl]benzenesulfonamide.
What is the SMILES notation for 3-methoxy-N-[7-[(3-methoxyphenyl)sulfonylamino]-9-oxofluoren-2-yl]benzenesulfonamide?
The canonical SMILES for 3-methoxy-N-[7-[(3-methoxyphenyl)sulfonylamino]-9-oxofluoren-2-yl]benzenesulfonamide is COc1cccc(S(=O)(=O)Nc2ccc3c(c2)C(=O)c2cc(NS(=O)(=O)c4cccc(OC)c4)ccc2-3)c1.
What is the InChIKey of 3-methoxy-N-[7-[(3-methoxyphenyl)sulfonylamino]-9-oxofluoren-2-yl]benzenesulfonamide?
The InChIKey is CMPZHWWMMDNMDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H22N2O7S2/c1-35-19-5-3-7-21(15-19)37(31,32)28-17-9-11-23-24-12-10-18(14-26(24)27(30)25(23)13-17)29-38(33,34)22-8-4-6-20(16-22)36-2/h3-16,28-29H,1-2H3.
What are the key properties of 3-methoxy-N-[7-[(3-methoxyphenyl)sulfonylamino]-9-oxofluoren-2-yl]benzenesulfonamide?
3-methoxy-N-[7-[(3-methoxyphenyl)sulfonylamino]-9-oxofluoren-2-yl]benzenesulfonamide has a molecular weight of 550.61 g/mol, XLogP of 4.52, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-N-[7-[(3-methoxyphenyl)sulfonylamino]-9-oxofluoren-2-yl]benzenesulfonamide is sourced from PubChem (CID 10437549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).