9H-carbazol-3-yl-(2,4-dichlorophenyl)sulfonylmethanamine

C19H14Cl2N2O2S — CID 66776499

IUPAC9H-carbazol-3-yl-(2,4-dichlorophenyl)sulfonylmethanamine
SMILESNC(c1ccc2[nH]c3ccccc3c2c1)S(=O)(=O)c1ccc(Cl)cc1Cl
InChIInChI=1S/C19H14Cl2N2O2S/c20-12-6-8-18(15(21)10-12)26(24,25)19(22)11-5-7-17-14(9-11)13-3-1-2-4-16(13)23-17/h1-10,19,23H,22H2
InChIKeyQOILIUMXHNDHLY-UHFFFAOYSA-N
MW405.31 g/mol
LogP5.06
Rot. Bonds3

About 9H-carbazol-3-yl-(2,4-dichlorophenyl)sulfonylmethanamine

9H-carbazol-3-yl-(2,4-dichlorophenyl)sulfonylmethanamine (PubChem CID 66776499) has the molecular formula C19H14Cl2N2O2S and a molecular weight of 405.31 g/mol. Its IUPAC name is 9H-carbazol-3-yl-(2,4-dichlorophenyl)sulfonylmethanamine.

Molecular Properties

Compound Name9H-carbazol-3-yl-(2,4-dichlorophenyl)sulfonylmethanamine
PubChem CID66776499
Molecular FormulaC19H14Cl2N2O2S
Molecular Weight405.31 g/mol
Exact Mass404.02
IUPAC Name9H-carbazol-3-yl-(2,4-dichlorophenyl)sulfonylmethanamine
SMILESNC(c1ccc2[nH]c3ccccc3c2c1)S(=O)(=O)c1ccc(Cl)cc1Cl
InChIInChI=1S/C19H14Cl2N2O2S/c20-12-6-8-18(15(21)10-12)26(24,25)19(22)11-5-7-17-14(9-11)13-3-1-2-4-16(13)23-17/h1-10,19,23H,22H2
InChIKeyQOILIUMXHNDHLY-UHFFFAOYSA-N
XLogP5.06
TPSA75.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500405.31
LogP ≤ 55.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 9H-carbazol-3-yl-(2,4-dichlorophenyl)sulfonylmethanamine?
The IUPAC name of 9H-carbazol-3-yl-(2,4-dichlorophenyl)sulfonylmethanamine (CID 66776499) is 9H-carbazol-3-yl-(2,4-dichlorophenyl)sulfonylmethanamine.
What is the SMILES notation for 9H-carbazol-3-yl-(2,4-dichlorophenyl)sulfonylmethanamine?
The canonical SMILES for 9H-carbazol-3-yl-(2,4-dichlorophenyl)sulfonylmethanamine is NC(c1ccc2[nH]c3ccccc3c2c1)S(=O)(=O)c1ccc(Cl)cc1Cl.
What is the InChIKey of 9H-carbazol-3-yl-(2,4-dichlorophenyl)sulfonylmethanamine?
The InChIKey is QOILIUMXHNDHLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14Cl2N2O2S/c20-12-6-8-18(15(21)10-12)26(24,25)19(22)11-5-7-17-14(9-11)13-3-1-2-4-16(13)23-17/h1-10,19,23H,22H2.
What are the key properties of 9H-carbazol-3-yl-(2,4-dichlorophenyl)sulfonylmethanamine?
9H-carbazol-3-yl-(2,4-dichlorophenyl)sulfonylmethanamine has a molecular weight of 405.31 g/mol, XLogP of 5.06, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9H-carbazol-3-yl-(2,4-dichlorophenyl)sulfonylmethanamine is sourced from PubChem (CID 66776499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).