N-diazo-5-(dimethylamino)naphthalene-1-sulfonamide;5-(dimethylamino)naphthalene-1-sulfonyl chloride

C24H24ClN5O4S2 — CID 160685371

IUPACN-diazo-5-(dimethylamino)naphthalene-1-sulfonamide;5-(dimethylamino)naphthalene-1-sulfonyl chloride
SMILESCN(C)c1cccc2c(S(=O)(=O)Cl)cccc12.CN(C)c1cccc2c(S(=O)(=O)N=[N+]=[N-])cccc12
InChIInChI=1S/C12H12ClNO2S.C12H12N4O2S/c1-14(2)11-7-3-6-10-9(11)5-4-8-12(10)17(13,15)16;1-16(2)11-7-3-6-10-9(11)5-4-8-12(10)19(17,18)15-14-13/h3-8H,1-2H3;3-8H,1-2H3
InChIKeyRORQSGFBRXJBSM-UHFFFAOYSA-N
MW546.07 g/mol
LogP5.74
Rot. Bonds5

About N-diazo-5-(dimethylamino)naphthalene-1-sulfonamide;5-(dimethylamino)naphthalene-1-sulfonyl chloride

N-diazo-5-(dimethylamino)naphthalene-1-sulfonamide;5-(dimethylamino)naphthalene-1-sulfonyl chloride (PubChem CID 160685371) has the molecular formula C24H24ClN5O4S2 and a molecular weight of 546.07 g/mol. Its IUPAC name is N-diazo-5-(dimethylamino)naphthalene-1-sulfonamide;5-(dimethylamino)naphthalene-1-sulfonyl chloride.

Molecular Properties

Compound NameN-diazo-5-(dimethylamino)naphthalene-1-sulfonamide;5-(dimethylamino)naphthalene-1-sulfonyl chloride
PubChem CID160685371
Molecular FormulaC24H24ClN5O4S2
Molecular Weight546.07 g/mol
Exact Mass545.10
IUPAC NameN-diazo-5-(dimethylamino)naphthalene-1-sulfonamide;5-(dimethylamino)naphthalene-1-sulfonyl chloride
SMILESCN(C)c1cccc2c(S(=O)(=O)Cl)cccc12.CN(C)c1cccc2c(S(=O)(=O)N=[N+]=[N-])cccc12
InChIInChI=1S/C12H12ClNO2S.C12H12N4O2S/c1-14(2)11-7-3-6-10-9(11)5-4-8-12(10)17(13,15)16;1-16(2)11-7-3-6-10-9(11)5-4-8-12(10)19(17,18)15-14-13/h3-8H,1-2H3;3-8H,1-2H3
InChIKeyRORQSGFBRXJBSM-UHFFFAOYSA-N
XLogP5.74
TPSA123.52 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500546.07
LogP ≤ 55.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-diazo-5-(dimethylamino)naphthalene-1-sulfonamide;5-(dimethylamino)naphthalene-1-sulfonyl chloride?
The IUPAC name of N-diazo-5-(dimethylamino)naphthalene-1-sulfonamide;5-(dimethylamino)naphthalene-1-sulfonyl chloride (CID 160685371) is N-diazo-5-(dimethylamino)naphthalene-1-sulfonamide;5-(dimethylamino)naphthalene-1-sulfonyl chloride.
What is the SMILES notation for N-diazo-5-(dimethylamino)naphthalene-1-sulfonamide;5-(dimethylamino)naphthalene-1-sulfonyl chloride?
The canonical SMILES for N-diazo-5-(dimethylamino)naphthalene-1-sulfonamide;5-(dimethylamino)naphthalene-1-sulfonyl chloride is CN(C)c1cccc2c(S(=O)(=O)Cl)cccc12.CN(C)c1cccc2c(S(=O)(=O)N=[N+]=[N-])cccc12.
What is the InChIKey of N-diazo-5-(dimethylamino)naphthalene-1-sulfonamide;5-(dimethylamino)naphthalene-1-sulfonyl chloride?
The InChIKey is RORQSGFBRXJBSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClNO2S.C12H12N4O2S/c1-14(2)11-7-3-6-10-9(11)5-4-8-12(10)17(13,15)16;1-16(2)11-7-3-6-10-9(11)5-4-8-12(10)19(17,18)15-14-13/h3-8H,1-2H3;3-8H,1-2H3.
What are the key properties of N-diazo-5-(dimethylamino)naphthalene-1-sulfonamide;5-(dimethylamino)naphthalene-1-sulfonyl chloride?
N-diazo-5-(dimethylamino)naphthalene-1-sulfonamide;5-(dimethylamino)naphthalene-1-sulfonyl chloride has a molecular weight of 546.07 g/mol, XLogP of 5.74, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-diazo-5-(dimethylamino)naphthalene-1-sulfonamide;5-(dimethylamino)naphthalene-1-sulfonyl chloride is sourced from PubChem (CID 160685371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).