N-cyclopropyl-3-(6-nitro-2,3-dihydroindole-1-carbonyl)benzenesulfonamide

C18H17N3O5S — CID 37161956

IUPACN-cyclopropyl-3-(6-nitro-2,3-dihydroindole-1-carbonyl)benzenesulfonamide
SMILESO=C(c1cccc(S(=O)(=O)NC2CC2)c1)N1CCc2ccc([N+](=O)[O-])cc21
InChIInChI=1S/C18H17N3O5S/c22-18(20-9-8-12-4-7-15(21(23)24)11-17(12)20)13-2-1-3-16(10-13)27(25,26)19-14-5-6-14/h1-4,7,10-11,14,19H,5-6,8-9H2
InChIKeyDXAXGXYMFCCATN-UHFFFAOYSA-N
MW387.42 g/mol
LogP2.24
Rot. Bonds5

About N-cyclopropyl-3-(6-nitro-2,3-dihydroindole-1-carbonyl)benzenesulfonamide

N-cyclopropyl-3-(6-nitro-2,3-dihydroindole-1-carbonyl)benzenesulfonamide (PubChem CID 37161956) has the molecular formula C18H17N3O5S and a molecular weight of 387.42 g/mol. Its IUPAC name is N-cyclopropyl-3-(6-nitro-2,3-dihydroindole-1-carbonyl)benzenesulfonamide.

Molecular Properties

Compound NameN-cyclopropyl-3-(6-nitro-2,3-dihydroindole-1-carbonyl)benzenesulfonamide
PubChem CID37161956
Molecular FormulaC18H17N3O5S
Molecular Weight387.42 g/mol
Exact Mass387.09
IUPAC NameN-cyclopropyl-3-(6-nitro-2,3-dihydroindole-1-carbonyl)benzenesulfonamide
SMILESO=C(c1cccc(S(=O)(=O)NC2CC2)c1)N1CCc2ccc([N+](=O)[O-])cc21
InChIInChI=1S/C18H17N3O5S/c22-18(20-9-8-12-4-7-15(21(23)24)11-17(12)20)13-2-1-3-16(10-13)27(25,26)19-14-5-6-14/h1-4,7,10-11,14,19H,5-6,8-9H2
InChIKeyDXAXGXYMFCCATN-UHFFFAOYSA-N
XLogP2.24
TPSA109.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.42
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-methoxy-N-methyl-3-(6-nitro-2,3-dihydroindole-1-carbonyl)benzenesulfonamide
CID 37161571
N-[4-(6-nitro-2,3-dihydroindole-1-carbonyl)phenyl]benzenesulfonamide
CID 37162744
N-cyclopropyl-3-[4-(4-nitrophenyl)piperazine-1-carbonyl]benzenesulfonamide
CID 30846907
3-(6-nitro-2,3-dihydroindole-1-carbonyl)benzonitrile
CID 16603335
N-[1-(3-hydroxybenzoyl)piperidin-4-yl]-4-nitrobenzenesulfonamide
CID 108567195
4-(6-nitro-2,3-dihydroindole-1-carbonyl)-N-[3-(trifluoromethyl)phenyl]benzenesulfonamide
CID 37163279
(3,4-dimethylphenyl)-(6-nitro-2,3-dihydroindol-1-yl)methanone
CID 51711520
(7-nitro-3,4-dihydro-2H-quinolin-1-yl)-phenylmethanone
CID 110291906
N-cyclopropyl-3-(2,3-dihydro-1,4-benzothiazine-4-carbonyl)benzenesulfonamide
CID 55359967
N,2,3-trimethyl-5-(6-nitro-2,3-dihydroindole-1-carbonyl)benzenesulfonamide
CID 37161902
N,N-diethyl-2-methyl-5-(6-nitro-2,3-dihydroindole-1-carbonyl)benzenesulfonamide
CID 55483239
N-cyclopentyl-1-(2-methyl-3-nitrobenzoyl)-2,3-dihydroindole-5-sulfonamide
CID 19164419

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-3-(6-nitro-2,3-dihydroindole-1-carbonyl)benzenesulfonamide?
The IUPAC name of N-cyclopropyl-3-(6-nitro-2,3-dihydroindole-1-carbonyl)benzenesulfonamide (CID 37161956) is N-cyclopropyl-3-(6-nitro-2,3-dihydroindole-1-carbonyl)benzenesulfonamide.
What is the SMILES notation for N-cyclopropyl-3-(6-nitro-2,3-dihydroindole-1-carbonyl)benzenesulfonamide?
The canonical SMILES for N-cyclopropyl-3-(6-nitro-2,3-dihydroindole-1-carbonyl)benzenesulfonamide is O=C(c1cccc(S(=O)(=O)NC2CC2)c1)N1CCc2ccc([N+](=O)[O-])cc21.
What is the InChIKey of N-cyclopropyl-3-(6-nitro-2,3-dihydroindole-1-carbonyl)benzenesulfonamide?
The InChIKey is DXAXGXYMFCCATN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O5S/c22-18(20-9-8-12-4-7-15(21(23)24)11-17(12)20)13-2-1-3-16(10-13)27(25,26)19-14-5-6-14/h1-4,7,10-11,14,19H,5-6,8-9H2.
What are the key properties of N-cyclopropyl-3-(6-nitro-2,3-dihydroindole-1-carbonyl)benzenesulfonamide?
N-cyclopropyl-3-(6-nitro-2,3-dihydroindole-1-carbonyl)benzenesulfonamide has a molecular weight of 387.42 g/mol, XLogP of 2.24, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-3-(6-nitro-2,3-dihydroindole-1-carbonyl)benzenesulfonamide is sourced from PubChem (CID 37161956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).