1-N,5-N-bis(2,4,6-trimethylphenyl)naphthalene-1,5-disulfonamide

C28H30N2O4S2 — CID 25043994

IUPAC1-N,5-N-bis(2,4,6-trimethylphenyl)naphthalene-1,5-disulfonamide
SMILESCc1cc(C)c(NS(=O)(=O)c2cccc3c(S(=O)(=O)Nc4c(C)cc(C)cc4C)cccc23)c(C)c1
InChIInChI=1S/C28H30N2O4S2/c1-17-13-19(3)27(20(4)14-17)29-35(31,32)25-11-7-10-24-23(25)9-8-12-26(24)36(33,34)30-28-21(5)15-18(2)16-22(28)6/h7-16,29-30H,1-6H3
InChIKeyPCMHPZZXJKLGCZ-UHFFFAOYSA-N
MW522.69 g/mol
LogP6.29
Rot. Bonds6

About 1-N,5-N-bis(2,4,6-trimethylphenyl)naphthalene-1,5-disulfonamide

1-N,5-N-bis(2,4,6-trimethylphenyl)naphthalene-1,5-disulfonamide (PubChem CID 25043994) has the molecular formula C28H30N2O4S2 and a molecular weight of 522.69 g/mol. Its IUPAC name is 1-N,5-N-bis(2,4,6-trimethylphenyl)naphthalene-1,5-disulfonamide.

Molecular Properties

Compound Name1-N,5-N-bis(2,4,6-trimethylphenyl)naphthalene-1,5-disulfonamide
PubChem CID25043994
Molecular FormulaC28H30N2O4S2
Molecular Weight522.69 g/mol
Exact Mass522.16
IUPAC Name1-N,5-N-bis(2,4,6-trimethylphenyl)naphthalene-1,5-disulfonamide
SMILESCc1cc(C)c(NS(=O)(=O)c2cccc3c(S(=O)(=O)Nc4c(C)cc(C)cc4C)cccc23)c(C)c1
InChIInChI=1S/C28H30N2O4S2/c1-17-13-19(3)27(20(4)14-17)29-35(31,32)25-11-7-10-24-23(25)9-8-12-26(24)36(33,34)30-28-21(5)15-18(2)16-22(28)6/h7-16,29-30H,1-6H3
InChIKeyPCMHPZZXJKLGCZ-UHFFFAOYSA-N
XLogP6.29
TPSA92.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500522.69
LogP ≤ 56.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-(dimethylamino)-N-(2-hydroxy-3,5-dimethylphenyl)naphthalene-1-sulfonamide
CID 5187282
1-ethyl-2-oxo-N-(2,4,6-trimethylphenyl)benzo[cd]indole-6-sulfonamide
CID 15944491
4-methoxy-2,3-dimethyl-N-(2,4,6-trimethylphenyl)benzenesulfonamide
CID 100710078
N-(2,6-dimethylphenyl)-2,5-dimethylbenzenesulfonamide
CID 8504690
2-methoxy-4-methyl-N-(2,4,6-trimethylphenyl)benzenesulfonamide
CID 50876761
5-amino-N-(2,6-dimethylphenyl)-2-methylbenzenesulfonamide
CID 29043173
5-(dimethylamino)-N-(4,6-dimethyl-2-pyridinyl)naphthalene-1-sulfonamide
CID 3795754
3-[(2,4,6-trimethylphenyl)sulfamoyl]thiophene-2-carboxylic acid
CID 43235697
3,5-dimethyl-2-[(2-oxo-1H-benzo[cd]indol-6-yl)sulfonylamino]benzoic acid
CID 52861291
N-(2,6-dimethylphenyl)-2-nitrobenzenesulfonamide
CID 3266243
N-(2,4-dimethylphenyl)-1,2-dihydroacenaphthylene-5-sulfonamide
CID 100820567
4-methoxy-N-(2,4,6-trimethylphenyl)benzenesulfonamide
CID 743974

Frequently Asked Questions

What is the IUPAC name of 1-N,5-N-bis(2,4,6-trimethylphenyl)naphthalene-1,5-disulfonamide?
The IUPAC name of 1-N,5-N-bis(2,4,6-trimethylphenyl)naphthalene-1,5-disulfonamide (CID 25043994) is 1-N,5-N-bis(2,4,6-trimethylphenyl)naphthalene-1,5-disulfonamide.
What is the SMILES notation for 1-N,5-N-bis(2,4,6-trimethylphenyl)naphthalene-1,5-disulfonamide?
The canonical SMILES for 1-N,5-N-bis(2,4,6-trimethylphenyl)naphthalene-1,5-disulfonamide is Cc1cc(C)c(NS(=O)(=O)c2cccc3c(S(=O)(=O)Nc4c(C)cc(C)cc4C)cccc23)c(C)c1.
What is the InChIKey of 1-N,5-N-bis(2,4,6-trimethylphenyl)naphthalene-1,5-disulfonamide?
The InChIKey is PCMHPZZXJKLGCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H30N2O4S2/c1-17-13-19(3)27(20(4)14-17)29-35(31,32)25-11-7-10-24-23(25)9-8-12-26(24)36(33,34)30-28-21(5)15-18(2)16-22(28)6/h7-16,29-30H,1-6H3.
What are the key properties of 1-N,5-N-bis(2,4,6-trimethylphenyl)naphthalene-1,5-disulfonamide?
1-N,5-N-bis(2,4,6-trimethylphenyl)naphthalene-1,5-disulfonamide has a molecular weight of 522.69 g/mol, XLogP of 6.29, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,5-N-bis(2,4,6-trimethylphenyl)naphthalene-1,5-disulfonamide is sourced from PubChem (CID 25043994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).