(3-bromophenyl)-(5-morpholin-4-ylsulfonyl-2,3-dihydroindol-1-yl)methanone

C19H19BrN2O4S — CID 19258901

IUPAC(3-bromophenyl)-(5-morpholin-4-ylsulfonyl-2,3-dihydroindol-1-yl)methanone
SMILESO=C(c1cccc(Br)c1)N1CCc2cc(S(=O)(=O)N3CCOCC3)ccc21
InChIInChI=1S/C19H19BrN2O4S/c20-16-3-1-2-15(12-16)19(23)22-7-6-14-13-17(4-5-18(14)22)27(24,25)21-8-10-26-11-9-21/h1-5,12-13H,6-11H2
InChIKeyHNDSSZKJTJTAKF-UHFFFAOYSA-N
MW451.34 g/mol
LogP2.67
Rot. Bonds3

About (3-bromophenyl)-(5-morpholin-4-ylsulfonyl-2,3-dihydroindol-1-yl)methanone

(3-bromophenyl)-(5-morpholin-4-ylsulfonyl-2,3-dihydroindol-1-yl)methanone (PubChem CID 19258901) has the molecular formula C19H19BrN2O4S and a molecular weight of 451.34 g/mol. Its IUPAC name is (3-bromophenyl)-(5-morpholin-4-ylsulfonyl-2,3-dihydroindol-1-yl)methanone.

Molecular Properties

Compound Name(3-bromophenyl)-(5-morpholin-4-ylsulfonyl-2,3-dihydroindol-1-yl)methanone
PubChem CID19258901
Molecular FormulaC19H19BrN2O4S
Molecular Weight451.34 g/mol
Exact Mass450.02
IUPAC Name(3-bromophenyl)-(5-morpholin-4-ylsulfonyl-2,3-dihydroindol-1-yl)methanone
SMILESO=C(c1cccc(Br)c1)N1CCc2cc(S(=O)(=O)N3CCOCC3)ccc21
InChIInChI=1S/C19H19BrN2O4S/c20-16-3-1-2-15(12-16)19(23)22-7-6-14-13-17(4-5-18(14)22)27(24,25)21-8-10-26-11-9-21/h1-5,12-13H,6-11H2
InChIKeyHNDSSZKJTJTAKF-UHFFFAOYSA-N
XLogP2.67
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.34
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N,N-dimethyl-4-(5-morpholin-4-ylsulfonyl-2,3-dihydroindole-1-carbonyl)benzenesulfonamide
CID 19258985
(3-methoxyphenyl)-(5-pyrrolidin-1-ylsulfonyl-2,3-dihydroindol-1-yl)methanone
CID 17418564
2-ethyl-1-(5-morpholin-4-ylsulfonyl-2,3-dihydroindol-1-yl)butan-1-one
CID 19258917
(6-methylsulfonyl-3,4-dihydro-2H-quinolin-1-yl)-(4-morpholin-4-ylsulfonylphenyl)methanone
CID 55661323
3-methyl-1-(5-morpholin-4-ylsulfonyl-2,3-dihydroindol-1-yl)butan-1-one
CID 19258890
N-[3-(5-piperidin-1-ylsulfonyl-2,3-dihydroindole-1-carbonyl)phenyl]cyclohexanecarboxamide
CID 55667826
1-[3-(5-piperidin-1-ylsulfonyl-2,3-dihydroindole-1-carbonyl)phenyl]pyrrolidin-2-one
CID 55438632
(3-chlorophenyl)-(6-piperidin-1-ylsulfonyl-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 17248252
2,3-dihydroindol-1-yl-(2-fluoro-5-morpholin-4-ylsulfonylphenyl)methanone
CID 2531136
(5-chloro-2-methoxyphenyl)-(5-morpholin-4-ylsulfonyl-2,3-dihydroindol-1-yl)methanone
CID 19258880
[3-(azepan-1-ylsulfonyl)phenyl]-(2,3-dihydroindol-1-yl)methanone
CID 1202064
furan-2-yl-(5-piperidin-1-ylsulfonyl-2,3-dihydroindol-1-yl)methanone
CID 17416161

Frequently Asked Questions

What is the IUPAC name of (3-bromophenyl)-(5-morpholin-4-ylsulfonyl-2,3-dihydroindol-1-yl)methanone?
The IUPAC name of (3-bromophenyl)-(5-morpholin-4-ylsulfonyl-2,3-dihydroindol-1-yl)methanone (CID 19258901) is (3-bromophenyl)-(5-morpholin-4-ylsulfonyl-2,3-dihydroindol-1-yl)methanone.
What is the SMILES notation for (3-bromophenyl)-(5-morpholin-4-ylsulfonyl-2,3-dihydroindol-1-yl)methanone?
The canonical SMILES for (3-bromophenyl)-(5-morpholin-4-ylsulfonyl-2,3-dihydroindol-1-yl)methanone is O=C(c1cccc(Br)c1)N1CCc2cc(S(=O)(=O)N3CCOCC3)ccc21.
What is the InChIKey of (3-bromophenyl)-(5-morpholin-4-ylsulfonyl-2,3-dihydroindol-1-yl)methanone?
The InChIKey is HNDSSZKJTJTAKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19BrN2O4S/c20-16-3-1-2-15(12-16)19(23)22-7-6-14-13-17(4-5-18(14)22)27(24,25)21-8-10-26-11-9-21/h1-5,12-13H,6-11H2.
What are the key properties of (3-bromophenyl)-(5-morpholin-4-ylsulfonyl-2,3-dihydroindol-1-yl)methanone?
(3-bromophenyl)-(5-morpholin-4-ylsulfonyl-2,3-dihydroindol-1-yl)methanone has a molecular weight of 451.34 g/mol, XLogP of 2.67, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-bromophenyl)-(5-morpholin-4-ylsulfonyl-2,3-dihydroindol-1-yl)methanone is sourced from PubChem (CID 19258901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).