N-methyl-4-nitro-N-(2,3,4,9-tetrahydro-1H-carbazol-3-yl)benzenesulfonamide

C19H19N3O4S — CID 170652555

IUPACN-methyl-4-nitro-N-(2,3,4,9-tetrahydro-1H-carbazol-3-yl)benzenesulfonamide
SMILESCN(C1CCc2[nH]c3ccccc3c2C1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C19H19N3O4S/c1-21(27(25,26)15-9-6-13(7-10-15)22(23)24)14-8-11-19-17(12-14)16-4-2-3-5-18(16)20-19/h2-7,9-10,14,20H,8,11-12H2,1H3
InChIKeySJJQFQZLNHWGTG-UHFFFAOYSA-N
MW385.44 g/mol
LogP3.25
Rot. Bonds4

About N-methyl-4-nitro-N-(2,3,4,9-tetrahydro-1H-carbazol-3-yl)benzenesulfonamide

N-methyl-4-nitro-N-(2,3,4,9-tetrahydro-1H-carbazol-3-yl)benzenesulfonamide (PubChem CID 170652555) has the molecular formula C19H19N3O4S and a molecular weight of 385.44 g/mol. Its IUPAC name is N-methyl-4-nitro-N-(2,3,4,9-tetrahydro-1H-carbazol-3-yl)benzenesulfonamide.

Molecular Properties

Compound NameN-methyl-4-nitro-N-(2,3,4,9-tetrahydro-1H-carbazol-3-yl)benzenesulfonamide
PubChem CID170652555
Molecular FormulaC19H19N3O4S
Molecular Weight385.44 g/mol
Exact Mass385.11
IUPAC NameN-methyl-4-nitro-N-(2,3,4,9-tetrahydro-1H-carbazol-3-yl)benzenesulfonamide
SMILESCN(C1CCc2[nH]c3ccccc3c2C1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C19H19N3O4S/c1-21(27(25,26)15-9-6-13(7-10-15)22(23)24)14-8-11-19-17(12-14)16-4-2-3-5-18(16)20-19/h2-7,9-10,14,20H,8,11-12H2,1H3
InChIKeySJJQFQZLNHWGTG-UHFFFAOYSA-N
XLogP3.25
TPSA96.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.44
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-tert-butyl-N-methyl-N-(2,3,4,9-tetrahydro-1H-carbazol-3-yl)benzenesulfonamide
CID 113097405
(3S)-N,N-di(propan-2-yl)-2,3,4,9-tetrahydro-1H-carbazol-3-amine
CID 73057285
N,5-dimethyl-N-(2,3,4,9-tetrahydro-1H-carbazol-3-yl)thiophene-2-sulfonamide
CID 113097394
N,2,2-trimethyl-N-(2,3,4,9-tetrahydro-1H-carbazol-3-yl)propanamide
CID 113097309
N-(1-cyclopropylethyl)-N-methyl-4-nitrobenzenesulfonamide
CID 47149207
6-nitro-3-phenyl-2,3,4,9-tetrahydro-1H-carbazole
CID 20568388
N-(2-chloro-6,7,8,9-tetrahydro-5H-pyrido[3,2-b]indol-8-yl)-4-fluoro-N-methylbenzenesulfonamide
CID 141340702
N-(2,3,4,9-tetrahydro-1H-carbazol-3-yl)methanesulfonamide
CID 113096584
N,3,4-trimethyl-N-(2,3,4,9-tetrahydro-1H-carbazol-3-yl)benzamide
CID 113097328
2,6-dimethoxy-N-methyl-N-(2,3,4,9-tetrahydro-1H-carbazol-3-yl)benzamide
CID 113097327
N-[6-(dimethylamino)-6,7,8,9-tetrahydro-5H-carbazol-3-yl]-4-methylbenzenesulfonamide
CID 54554079
1-(4-nitrophenyl)-4,9-dihydro-3H-pyrido[3,4-b]indole
CID 11426319

Frequently Asked Questions

What is the IUPAC name of N-methyl-4-nitro-N-(2,3,4,9-tetrahydro-1H-carbazol-3-yl)benzenesulfonamide?
The IUPAC name of N-methyl-4-nitro-N-(2,3,4,9-tetrahydro-1H-carbazol-3-yl)benzenesulfonamide (CID 170652555) is N-methyl-4-nitro-N-(2,3,4,9-tetrahydro-1H-carbazol-3-yl)benzenesulfonamide.
What is the SMILES notation for N-methyl-4-nitro-N-(2,3,4,9-tetrahydro-1H-carbazol-3-yl)benzenesulfonamide?
The canonical SMILES for N-methyl-4-nitro-N-(2,3,4,9-tetrahydro-1H-carbazol-3-yl)benzenesulfonamide is CN(C1CCc2[nH]c3ccccc3c2C1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1.
What is the InChIKey of N-methyl-4-nitro-N-(2,3,4,9-tetrahydro-1H-carbazol-3-yl)benzenesulfonamide?
The InChIKey is SJJQFQZLNHWGTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O4S/c1-21(27(25,26)15-9-6-13(7-10-15)22(23)24)14-8-11-19-17(12-14)16-4-2-3-5-18(16)20-19/h2-7,9-10,14,20H,8,11-12H2,1H3.
What are the key properties of N-methyl-4-nitro-N-(2,3,4,9-tetrahydro-1H-carbazol-3-yl)benzenesulfonamide?
N-methyl-4-nitro-N-(2,3,4,9-tetrahydro-1H-carbazol-3-yl)benzenesulfonamide has a molecular weight of 385.44 g/mol, XLogP of 3.25, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-nitro-N-(2,3,4,9-tetrahydro-1H-carbazol-3-yl)benzenesulfonamide is sourced from PubChem (CID 170652555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).