4-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)benzenesulfonamide

C19H21N3O2S — CID 71007712

IUPAC4-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)benzenesulfonamide
SMILESCc1ccc2c(c1)c1c(n2-c2ccc(S(N)(=O)=O)cc2)CCN(C)C1
InChIInChI=1S/C19H21N3O2S/c1-13-3-8-18-16(11-13)17-12-21(2)10-9-19(17)22(18)14-4-6-15(7-5-14)25(20,23)24/h3-8,11H,9-10,12H2,1-2H3,(H2,20,23,24)
InChIKeySTYKCBSBQLDALQ-UHFFFAOYSA-N
MW355.46 g/mol
LogP2.57
Rot. Bonds2

About 4-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)benzenesulfonamide

4-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)benzenesulfonamide (PubChem CID 71007712) has the molecular formula C19H21N3O2S and a molecular weight of 355.46 g/mol. Its IUPAC name is 4-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)benzenesulfonamide
PubChem CID71007712
Molecular FormulaC19H21N3O2S
Molecular Weight355.46 g/mol
Exact Mass355.14
IUPAC Name4-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)benzenesulfonamide
SMILESCc1ccc2c(c1)c1c(n2-c2ccc(S(N)(=O)=O)cc2)CCN(C)C1
InChIInChI=1S/C19H21N3O2S/c1-13-3-8-18-16(11-13)17-12-21(2)10-9-19(17)22(18)14-4-6-15(7-5-14)25(20,23)24/h3-8,11H,9-10,12H2,1-2H3,(H2,20,23,24)
InChIKeySTYKCBSBQLDALQ-UHFFFAOYSA-N
XLogP2.57
TPSA68.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.46
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)benzenesulfonamide?
The IUPAC name of 4-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)benzenesulfonamide (CID 71007712) is 4-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)benzenesulfonamide.
What is the SMILES notation for 4-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)benzenesulfonamide?
The canonical SMILES for 4-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)benzenesulfonamide is Cc1ccc2c(c1)c1c(n2-c2ccc(S(N)(=O)=O)cc2)CCN(C)C1.
What is the InChIKey of 4-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)benzenesulfonamide?
The InChIKey is STYKCBSBQLDALQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O2S/c1-13-3-8-18-16(11-13)17-12-21(2)10-9-19(17)22(18)14-4-6-15(7-5-14)25(20,23)24/h3-8,11H,9-10,12H2,1-2H3,(H2,20,23,24).
What are the key properties of 4-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)benzenesulfonamide?
4-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)benzenesulfonamide has a molecular weight of 355.46 g/mol, XLogP of 2.57, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)benzenesulfonamide is sourced from PubChem (CID 71007712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).