N,N-dimethyl-4-(5-morpholin-4-ylsulfonyl-2,3-dihydroindole-1-carbonyl)benzenesulfonamide

C21H25N3O6S2 — CID 19258985

IUPACN,N-dimethyl-4-(5-morpholin-4-ylsulfonyl-2,3-dihydroindole-1-carbonyl)benzenesulfonamide
SMILESCN(C)S(=O)(=O)c1ccc(C(=O)N2CCc3cc(S(=O)(=O)N4CCOCC4)ccc32)cc1
InChIInChI=1S/C21H25N3O6S2/c1-22(2)31(26,27)18-5-3-16(4-6-18)21(25)24-10-9-17-15-19(7-8-20(17)24)32(28,29)23-11-13-30-14-12-23/h3-8,15H,9-14H2,1-2H3
InChIKeyFSJVEMVUEVHRTD-UHFFFAOYSA-N
MW479.58 g/mol
LogP1.16
Rot. Bonds5

About N,N-dimethyl-4-(5-morpholin-4-ylsulfonyl-2,3-dihydroindole-1-carbonyl)benzenesulfonamide

N,N-dimethyl-4-(5-morpholin-4-ylsulfonyl-2,3-dihydroindole-1-carbonyl)benzenesulfonamide (PubChem CID 19258985) has the molecular formula C21H25N3O6S2 and a molecular weight of 479.58 g/mol. Its IUPAC name is N,N-dimethyl-4-(5-morpholin-4-ylsulfonyl-2,3-dihydroindole-1-carbonyl)benzenesulfonamide.

Molecular Properties

Compound NameN,N-dimethyl-4-(5-morpholin-4-ylsulfonyl-2,3-dihydroindole-1-carbonyl)benzenesulfonamide
PubChem CID19258985
Molecular FormulaC21H25N3O6S2
Molecular Weight479.58 g/mol
Exact Mass479.12
IUPAC NameN,N-dimethyl-4-(5-morpholin-4-ylsulfonyl-2,3-dihydroindole-1-carbonyl)benzenesulfonamide
SMILESCN(C)S(=O)(=O)c1ccc(C(=O)N2CCc3cc(S(=O)(=O)N4CCOCC4)ccc32)cc1
InChIInChI=1S/C21H25N3O6S2/c1-22(2)31(26,27)18-5-3-16(4-6-18)21(25)24-10-9-17-15-19(7-8-20(17)24)32(28,29)23-11-13-30-14-12-23/h3-8,15H,9-14H2,1-2H3
InChIKeyFSJVEMVUEVHRTD-UHFFFAOYSA-N
XLogP1.16
TPSA104.30 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.58
LogP ≤ 51.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N,N-dimethyl-1-[4-(morpholin-4-ylsulfonylmethyl)benzoyl]-2,3-dihydroindole-5-sulfonamide
CID 92646503
(6-methylsulfonyl-3,4-dihydro-2H-quinolin-1-yl)-(4-morpholin-4-ylsulfonylphenyl)methanone
CID 55661323
(3-bromophenyl)-(5-morpholin-4-ylsulfonyl-2,3-dihydroindol-1-yl)methanone
CID 19258901
[4-[4-[5-(dimethylsulfamoyl)-2,3-dihydroindole-1-carbonyl]phenyl]phenyl] acetate
CID 52527565
N-cyclopentyl-1-[4-(dimethylsulfamoyl)benzoyl]-2,3-dihydroindole-5-sulfonamide
CID 19164501
3-methyl-1-(5-morpholin-4-ylsulfonyl-2,3-dihydroindol-1-yl)butan-1-one
CID 19258890
2-ethyl-1-(5-morpholin-4-ylsulfonyl-2,3-dihydroindol-1-yl)butan-1-one
CID 19258917
4-(5-piperidin-1-ylsulfonyl-2,3-dihydroindole-1-carbonyl)benzamide
CID 55438572
1-[4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)benzoyl]-N,N-dimethyl-2,3-dihydroindole-5-sulfonamide
CID 38107052
(5-chloro-2-methoxyphenyl)-(5-morpholin-4-ylsulfonyl-2,3-dihydroindol-1-yl)methanone
CID 19258880
N,N-dimethyl-1-[(3-morpholin-4-ylsulfonylphenyl)methyl]-2,3-dihydroindole-5-sulfonamide
CID 31875101
1-[1-(benzenesulfonyl)piperidine-4-carbonyl]-N,N-dimethyl-2,3-dihydroindole-5-sulfonamide
CID 26769945

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-4-(5-morpholin-4-ylsulfonyl-2,3-dihydroindole-1-carbonyl)benzenesulfonamide?
The IUPAC name of N,N-dimethyl-4-(5-morpholin-4-ylsulfonyl-2,3-dihydroindole-1-carbonyl)benzenesulfonamide (CID 19258985) is N,N-dimethyl-4-(5-morpholin-4-ylsulfonyl-2,3-dihydroindole-1-carbonyl)benzenesulfonamide.
What is the SMILES notation for N,N-dimethyl-4-(5-morpholin-4-ylsulfonyl-2,3-dihydroindole-1-carbonyl)benzenesulfonamide?
The canonical SMILES for N,N-dimethyl-4-(5-morpholin-4-ylsulfonyl-2,3-dihydroindole-1-carbonyl)benzenesulfonamide is CN(C)S(=O)(=O)c1ccc(C(=O)N2CCc3cc(S(=O)(=O)N4CCOCC4)ccc32)cc1.
What is the InChIKey of N,N-dimethyl-4-(5-morpholin-4-ylsulfonyl-2,3-dihydroindole-1-carbonyl)benzenesulfonamide?
The InChIKey is FSJVEMVUEVHRTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O6S2/c1-22(2)31(26,27)18-5-3-16(4-6-18)21(25)24-10-9-17-15-19(7-8-20(17)24)32(28,29)23-11-13-30-14-12-23/h3-8,15H,9-14H2,1-2H3.
What are the key properties of N,N-dimethyl-4-(5-morpholin-4-ylsulfonyl-2,3-dihydroindole-1-carbonyl)benzenesulfonamide?
N,N-dimethyl-4-(5-morpholin-4-ylsulfonyl-2,3-dihydroindole-1-carbonyl)benzenesulfonamide has a molecular weight of 479.58 g/mol, XLogP of 1.16, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-4-(5-morpholin-4-ylsulfonyl-2,3-dihydroindole-1-carbonyl)benzenesulfonamide is sourced from PubChem (CID 19258985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).