N-[2-(2-methylpropylamino)-5-morpholin-4-ylsulfonylphenyl]naphthalene-2-sulfonamide

C24H29N3O5S2 — CID 5194420

IUPACN-[2-(2-methylpropylamino)-5-morpholin-4-ylsulfonylphenyl]naphthalene-2-sulfonamide
SMILESCC(C)CNc1ccc(S(=O)(=O)N2CCOCC2)cc1NS(=O)(=O)c1ccc2ccccc2c1
InChIInChI=1S/C24H29N3O5S2/c1-18(2)17-25-23-10-9-22(34(30,31)27-11-13-32-14-12-27)16-24(23)26-33(28,29)21-8-7-19-5-3-4-6-20(19)15-21/h3-10,15-16,18,25-26H,11-14,17H2,1-2H3
InChIKeyQOSFOORDSIVNAK-UHFFFAOYSA-N
MW503.65 g/mol
LogP3.73
Rot. Bonds8

About N-[2-(2-methylpropylamino)-5-morpholin-4-ylsulfonylphenyl]naphthalene-2-sulfonamide

N-[2-(2-methylpropylamino)-5-morpholin-4-ylsulfonylphenyl]naphthalene-2-sulfonamide (PubChem CID 5194420) has the molecular formula C24H29N3O5S2 and a molecular weight of 503.65 g/mol. Its IUPAC name is N-[2-(2-methylpropylamino)-5-morpholin-4-ylsulfonylphenyl]naphthalene-2-sulfonamide.

Molecular Properties

Compound NameN-[2-(2-methylpropylamino)-5-morpholin-4-ylsulfonylphenyl]naphthalene-2-sulfonamide
PubChem CID5194420
Molecular FormulaC24H29N3O5S2
Molecular Weight503.65 g/mol
Exact Mass503.15
IUPAC NameN-[2-(2-methylpropylamino)-5-morpholin-4-ylsulfonylphenyl]naphthalene-2-sulfonamide
SMILESCC(C)CNc1ccc(S(=O)(=O)N2CCOCC2)cc1NS(=O)(=O)c1ccc2ccccc2c1
InChIInChI=1S/C24H29N3O5S2/c1-18(2)17-25-23-10-9-22(34(30,31)27-11-13-32-14-12-27)16-24(23)26-33(28,29)21-8-7-19-5-3-4-6-20(19)15-21/h3-10,15-16,18,25-26H,11-14,17H2,1-2H3
InChIKeyQOSFOORDSIVNAK-UHFFFAOYSA-N
XLogP3.73
TPSA104.81 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500503.65
LogP ≤ 53.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-morpholin-4-ylsulfonyl-N-naphthalen-2-ylbenzenesulfonamide
CID 3508166
3-cyclopentyl-N-[2-(2-methylpropylamino)-5-morpholin-4-ylsulfonylphenyl]propanamide
CID 25336261
3-[1-[2-(2-methylpropylamino)-5-morpholin-4-ylsulfonylanilino]ethyl]benzonitrile
CID 166342929
N-(4-morpholin-4-ylsulfonyl-2-nitrophenyl)benzenesulfonamide
CID 3881300
2-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]-N-[2-(2-methylpropylamino)-5-morpholin-4-ylsulfonylphenyl]acetamide
CID 98606271
4-fluoro-N-[5-morpholin-4-ylsulfonyl-2-[[(2R)-oxolan-2-yl]methylamino]phenyl]benzenesulfonamide
CID 40927945
2-ethoxy-5-morpholin-4-ylsulfonyl-N-(naphthalen-2-ylmethyl)aniline
CID 112811153
1-naphthalen-2-ylsulfonylpyrrolidine
CID 819722
N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)-4-phenoxybenzenesulfonamide
CID 28579503
1-(4-morpholin-4-ylsulfonylphenyl)-N-(naphthalen-2-ylmethyl)methanamine
CID 27656690
N-methyl-3-morpholin-4-ylsulfonylbenzenesulfonamide
CID 49236430
N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)-2-naphthalen-2-ylacetamide
CID 26065527

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methylpropylamino)-5-morpholin-4-ylsulfonylphenyl]naphthalene-2-sulfonamide?
The IUPAC name of N-[2-(2-methylpropylamino)-5-morpholin-4-ylsulfonylphenyl]naphthalene-2-sulfonamide (CID 5194420) is N-[2-(2-methylpropylamino)-5-morpholin-4-ylsulfonylphenyl]naphthalene-2-sulfonamide.
What is the SMILES notation for N-[2-(2-methylpropylamino)-5-morpholin-4-ylsulfonylphenyl]naphthalene-2-sulfonamide?
The canonical SMILES for N-[2-(2-methylpropylamino)-5-morpholin-4-ylsulfonylphenyl]naphthalene-2-sulfonamide is CC(C)CNc1ccc(S(=O)(=O)N2CCOCC2)cc1NS(=O)(=O)c1ccc2ccccc2c1.
What is the InChIKey of N-[2-(2-methylpropylamino)-5-morpholin-4-ylsulfonylphenyl]naphthalene-2-sulfonamide?
The InChIKey is QOSFOORDSIVNAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N3O5S2/c1-18(2)17-25-23-10-9-22(34(30,31)27-11-13-32-14-12-27)16-24(23)26-33(28,29)21-8-7-19-5-3-4-6-20(19)15-21/h3-10,15-16,18,25-26H,11-14,17H2,1-2H3.
What are the key properties of N-[2-(2-methylpropylamino)-5-morpholin-4-ylsulfonylphenyl]naphthalene-2-sulfonamide?
N-[2-(2-methylpropylamino)-5-morpholin-4-ylsulfonylphenyl]naphthalene-2-sulfonamide has a molecular weight of 503.65 g/mol, XLogP of 3.73, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methylpropylamino)-5-morpholin-4-ylsulfonylphenyl]naphthalene-2-sulfonamide is sourced from PubChem (CID 5194420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).