N-(3-chloro-4-formylphenyl)-5-(dimethylamino)naphthalene-1-sulfonamide

C19H17ClN2O3S — CID 142053492

IUPACN-(3-chloro-4-formylphenyl)-5-(dimethylamino)naphthalene-1-sulfonamide
SMILESCN(C)c1cccc2c(S(=O)(=O)Nc3ccc(C=O)c(Cl)c3)cccc12
InChIInChI=1S/C19H17ClN2O3S/c1-22(2)18-7-3-6-16-15(18)5-4-8-19(16)26(24,25)21-14-10-9-13(12-23)17(20)11-14/h3-12,21H,1-2H3
InChIKeyYLRCMXRUCOOCAM-UHFFFAOYSA-N
MW388.88 g/mol
LogP4.17
Rot. Bonds5

About N-(3-chloro-4-formylphenyl)-5-(dimethylamino)naphthalene-1-sulfonamide

N-(3-chloro-4-formylphenyl)-5-(dimethylamino)naphthalene-1-sulfonamide (PubChem CID 142053492) has the molecular formula C19H17ClN2O3S and a molecular weight of 388.88 g/mol. Its IUPAC name is N-(3-chloro-4-formylphenyl)-5-(dimethylamino)naphthalene-1-sulfonamide.

Molecular Properties

Compound NameN-(3-chloro-4-formylphenyl)-5-(dimethylamino)naphthalene-1-sulfonamide
PubChem CID142053492
Molecular FormulaC19H17ClN2O3S
Molecular Weight388.88 g/mol
Exact Mass388.06
IUPAC NameN-(3-chloro-4-formylphenyl)-5-(dimethylamino)naphthalene-1-sulfonamide
SMILESCN(C)c1cccc2c(S(=O)(=O)Nc3ccc(C=O)c(Cl)c3)cccc12
InChIInChI=1S/C19H17ClN2O3S/c1-22(2)18-7-3-6-16-15(18)5-4-8-19(16)26(24,25)21-14-10-9-13(12-23)17(20)11-14/h3-12,21H,1-2H3
InChIKeyYLRCMXRUCOOCAM-UHFFFAOYSA-N
XLogP4.17
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.88
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

N-(6-chloro-3-pyridinyl)-5-(dimethylamino)naphthalene-1-sulfonamide
CID 11792960
[4-[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]phenyl]boronic acid
CID 15345457
N-(4-bromo-3-fluorophenyl)-5-(dimethylamino)naphthalene-1-sulfonamide
CID 4658708
4-[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]benzoic acid
CID 15839021
CID 57189636
CID 57189636
N-[4-(1-aminoethyl)phenyl]-5-(dimethylamino)naphthalene-1-sulfonamide
CID 102078919
5-[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]naphthalene-1-sulfonyl chloride
CID 71401329
N-(6-chloro-4-methylpyridazin-3-yl)-5-(dimethylamino)naphthalene-1-sulfonamide
CID 10833400
5-(dimethylamino)-N-(2-oxoethyl)naphthalene-1-sulfonamide
CID 18702175
5-(dimethylamino)-N-(2-hydroxyphenyl)naphthalene-1-sulfonamide
CID 25048383
N-[3,5-bis(3-methyl-2,5-dioxopyrrol-1-yl)phenyl]-5-(dimethylamino)naphthalene-1-sulfonamide
CID 50918100
N-[4-[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]phenyl]-1-methylcyclopropane-1-carboxamide
CID 59900326

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-formylphenyl)-5-(dimethylamino)naphthalene-1-sulfonamide?
The IUPAC name of N-(3-chloro-4-formylphenyl)-5-(dimethylamino)naphthalene-1-sulfonamide (CID 142053492) is N-(3-chloro-4-formylphenyl)-5-(dimethylamino)naphthalene-1-sulfonamide.
What is the SMILES notation for N-(3-chloro-4-formylphenyl)-5-(dimethylamino)naphthalene-1-sulfonamide?
The canonical SMILES for N-(3-chloro-4-formylphenyl)-5-(dimethylamino)naphthalene-1-sulfonamide is CN(C)c1cccc2c(S(=O)(=O)Nc3ccc(C=O)c(Cl)c3)cccc12.
What is the InChIKey of N-(3-chloro-4-formylphenyl)-5-(dimethylamino)naphthalene-1-sulfonamide?
The InChIKey is YLRCMXRUCOOCAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClN2O3S/c1-22(2)18-7-3-6-16-15(18)5-4-8-19(16)26(24,25)21-14-10-9-13(12-23)17(20)11-14/h3-12,21H,1-2H3.
What are the key properties of N-(3-chloro-4-formylphenyl)-5-(dimethylamino)naphthalene-1-sulfonamide?
N-(3-chloro-4-formylphenyl)-5-(dimethylamino)naphthalene-1-sulfonamide has a molecular weight of 388.88 g/mol, XLogP of 4.17, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-formylphenyl)-5-(dimethylamino)naphthalene-1-sulfonamide is sourced from PubChem (CID 142053492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).