N-[4-[bis(5-bromo-1H-indol-3-yl)methyl]phenyl]naphthalene-2-sulfonamide

C33H23Br2N3O2S — CID 122164677

IUPACN-[4-[bis(5-bromo-1H-indol-3-yl)methyl]phenyl]naphthalene-2-sulfonamide
SMILESO=S(=O)(Nc1ccc(C(c2c[nH]c3ccc(Br)cc23)c2c[nH]c3ccc(Br)cc23)cc1)c1ccc2ccccc2c1
InChIInChI=1S/C33H23Br2N3O2S/c34-23-8-13-31-27(16-23)29(18-36-31)33(30-19-37-32-14-9-24(35)17-28(30)32)21-5-10-25(11-6-21)38-41(39,40)26-12-7-20-3-1-2-4-22(20)15-26/h1-19,33,36-38H
InChIKeyYGZHVHLFGJAVRH-UHFFFAOYSA-N
MW685.44 g/mol
LogP9.31
Rot. Bonds6

About N-[4-[bis(5-bromo-1H-indol-3-yl)methyl]phenyl]naphthalene-2-sulfonamide

N-[4-[bis(5-bromo-1H-indol-3-yl)methyl]phenyl]naphthalene-2-sulfonamide (PubChem CID 122164677) has the molecular formula C33H23Br2N3O2S and a molecular weight of 685.44 g/mol. Its IUPAC name is N-[4-[bis(5-bromo-1H-indol-3-yl)methyl]phenyl]naphthalene-2-sulfonamide.

Molecular Properties

Compound NameN-[4-[bis(5-bromo-1H-indol-3-yl)methyl]phenyl]naphthalene-2-sulfonamide
PubChem CID122164677
Molecular FormulaC33H23Br2N3O2S
Molecular Weight685.44 g/mol
Exact Mass682.99
IUPAC NameN-[4-[bis(5-bromo-1H-indol-3-yl)methyl]phenyl]naphthalene-2-sulfonamide
SMILESO=S(=O)(Nc1ccc(C(c2c[nH]c3ccc(Br)cc23)c2c[nH]c3ccc(Br)cc23)cc1)c1ccc2ccccc2c1
InChIInChI=1S/C33H23Br2N3O2S/c34-23-8-13-31-27(16-23)29(18-36-31)33(30-19-37-32-14-9-24(35)17-28(30)32)21-5-10-25(11-6-21)38-41(39,40)26-12-7-20-3-1-2-4-22(20)15-26/h1-19,33,36-38H
InChIKeyYGZHVHLFGJAVRH-UHFFFAOYSA-N
XLogP9.31
TPSA77.75 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500685.44
LogP ≤ 59.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-propan-2-ylphenyl)naphthalene-2-sulfonamide
CID 3997695
N-[4-(4-bromophenoxy)phenyl]naphthalene-2-sulfonamide
CID 1217806
3-bromo-N-naphthalen-2-ylbenzenesulfonamide
CID 7938660
N-(1H-indol-5-yl)naphthalene-2-sulfonamide
CID 3718023
N-[3-(1,2,3,6-tetrahydropyridin-4-yl)-1H-indol-5-yl]naphthalene-2-sulfonamide
CID 102430109
N-[3-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-1H-indol-5-yl]naphthalene-2-sulfonamide
CID 11486933
N-hydroxy-4-(naphthalen-2-ylsulfonylamino)benzamide
CID 86231375
5-bromo-3-[(5-bromo-1H-indol-3-yl)-(3-methylphenyl)methyl]-1H-indole
CID 46845933
N-(3,5-dimethylphenyl)naphthalene-2-sulfonamide
CID 874153
N-[4-[(2,3-dichlorophenyl)sulfamoyl]phenyl]naphthalene-2-sulfonamide
CID 126387209
N-[4-(dimethylsulfamoyl)phenyl]naphthalene-2-sulfonamide
CID 2098625
2-[4-(naphthalen-2-ylsulfonylamino)phenyl]acetic acid
CID 2412067

Frequently Asked Questions

What is the IUPAC name of N-[4-[bis(5-bromo-1H-indol-3-yl)methyl]phenyl]naphthalene-2-sulfonamide?
The IUPAC name of N-[4-[bis(5-bromo-1H-indol-3-yl)methyl]phenyl]naphthalene-2-sulfonamide (CID 122164677) is N-[4-[bis(5-bromo-1H-indol-3-yl)methyl]phenyl]naphthalene-2-sulfonamide.
What is the SMILES notation for N-[4-[bis(5-bromo-1H-indol-3-yl)methyl]phenyl]naphthalene-2-sulfonamide?
The canonical SMILES for N-[4-[bis(5-bromo-1H-indol-3-yl)methyl]phenyl]naphthalene-2-sulfonamide is O=S(=O)(Nc1ccc(C(c2c[nH]c3ccc(Br)cc23)c2c[nH]c3ccc(Br)cc23)cc1)c1ccc2ccccc2c1.
What is the InChIKey of N-[4-[bis(5-bromo-1H-indol-3-yl)methyl]phenyl]naphthalene-2-sulfonamide?
The InChIKey is YGZHVHLFGJAVRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H23Br2N3O2S/c34-23-8-13-31-27(16-23)29(18-36-31)33(30-19-37-32-14-9-24(35)17-28(30)32)21-5-10-25(11-6-21)38-41(39,40)26-12-7-20-3-1-2-4-22(20)15-26/h1-19,33,36-38H.
What are the key properties of N-[4-[bis(5-bromo-1H-indol-3-yl)methyl]phenyl]naphthalene-2-sulfonamide?
N-[4-[bis(5-bromo-1H-indol-3-yl)methyl]phenyl]naphthalene-2-sulfonamide has a molecular weight of 685.44 g/mol, XLogP of 9.31, 6 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[bis(5-bromo-1H-indol-3-yl)methyl]phenyl]naphthalene-2-sulfonamide is sourced from PubChem (CID 122164677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).