N-[(2R)-2-(benzenesulfonyl)-2-[4-(dimethylamino)phenyl]ethyl]propane-1-sulfonamide

C19H26N2O4S2 — CID 9159185

IUPACN-[(2R)-2-(benzenesulfonyl)-2-[4-(dimethylamino)phenyl]ethyl]propane-1-sulfonamide
SMILESCCCS(=O)(=O)NC[C@@H](c1ccc(N(C)C)cc1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C19H26N2O4S2/c1-4-14-26(22,23)20-15-19(16-10-12-17(13-11-16)21(2)3)27(24,25)18-8-6-5-7-9-18/h5-13,19-20H,4,14-15H2,1-3H3/t19-/m0/s1
InChIKeyRCMQSKFPKSAIFM-IBGZPJMESA-N
MW410.56 g/mol
LogP2.60
Rot. Bonds9

About N-[(2R)-2-(benzenesulfonyl)-2-[4-(dimethylamino)phenyl]ethyl]propane-1-sulfonamide

N-[(2R)-2-(benzenesulfonyl)-2-[4-(dimethylamino)phenyl]ethyl]propane-1-sulfonamide (PubChem CID 9159185) has the molecular formula C19H26N2O4S2 and a molecular weight of 410.56 g/mol. Its IUPAC name is N-[(2R)-2-(benzenesulfonyl)-2-[4-(dimethylamino)phenyl]ethyl]propane-1-sulfonamide.

Molecular Properties

Compound NameN-[(2R)-2-(benzenesulfonyl)-2-[4-(dimethylamino)phenyl]ethyl]propane-1-sulfonamide
PubChem CID9159185
Molecular FormulaC19H26N2O4S2
Molecular Weight410.56 g/mol
Exact Mass410.13
IUPAC NameN-[(2R)-2-(benzenesulfonyl)-2-[4-(dimethylamino)phenyl]ethyl]propane-1-sulfonamide
SMILESCCCS(=O)(=O)NC[C@@H](c1ccc(N(C)C)cc1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C19H26N2O4S2/c1-4-14-26(22,23)20-15-19(16-10-12-17(13-11-16)21(2)3)27(24,25)18-8-6-5-7-9-18/h5-13,19-20H,4,14-15H2,1-3H3/t19-/m0/s1
InChIKeyRCMQSKFPKSAIFM-IBGZPJMESA-N
XLogP2.60
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.56
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

N-[(2R)-2-(benzenesulfonyl)-2-[4-(dimethylamino)phenyl]ethyl]acetamide
CID 9159203
N-[(2S)-2-(dimethylamino)-2-[4-(dimethylamino)phenyl]ethyl]propane-1-sulfonamide
CID 7497762
N-[(2R)-2-(benzenesulfonyl)-2-[4-(dimethylamino)phenyl]ethyl]-N'-cyclopropyloxamide
CID 9159516
N-[(2R)-2-(benzenesulfonyl)-2-phenylethyl]-3-chloropropane-1-sulfonamide
CID 9184485
N'-[(2R)-2-(benzenesulfonyl)-2-[4-(dimethylamino)phenyl]ethyl]-N-prop-2-enyloxamide
CID 9159524
N-[(2R)-2-(benzenesulfonyl)-2-[4-(dimethylamino)phenyl]ethyl]-2-methylbenzamide
CID 9159352
N-[(2S)-2-(benzenesulfonyl)-2-[4-(dimethylamino)phenyl]ethyl]-2-methylbenzamide
CID 9159358
N-[(2S)-2-(benzenesulfonyl)-2-[4-(dimethylamino)phenyl]ethyl]cyclohexanecarboxamide
CID 9159292
N-[2-(dimethylamino)-2-phenylethyl]propane-1-sulfonamide
CID 60648817
N-[(2S)-2-(benzenesulfonyl)-2-[4-(dimethylamino)phenyl]ethyl]-3-methylbenzamide
CID 9159372
N-[(2S)-2-(dimethylamino)-2-[4-(dimethylamino)phenyl]ethyl]-2-phenylethanesulfonamide
CID 7497942
N-[(2S)-2-(benzenesulfonyl)-2-[4-(dimethylamino)phenyl]ethyl]pyridine-3-carboxamide
CID 9159404

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-(benzenesulfonyl)-2-[4-(dimethylamino)phenyl]ethyl]propane-1-sulfonamide?
The IUPAC name of N-[(2R)-2-(benzenesulfonyl)-2-[4-(dimethylamino)phenyl]ethyl]propane-1-sulfonamide (CID 9159185) is N-[(2R)-2-(benzenesulfonyl)-2-[4-(dimethylamino)phenyl]ethyl]propane-1-sulfonamide.
What is the SMILES notation for N-[(2R)-2-(benzenesulfonyl)-2-[4-(dimethylamino)phenyl]ethyl]propane-1-sulfonamide?
The canonical SMILES for N-[(2R)-2-(benzenesulfonyl)-2-[4-(dimethylamino)phenyl]ethyl]propane-1-sulfonamide is CCCS(=O)(=O)NC[C@@H](c1ccc(N(C)C)cc1)S(=O)(=O)c1ccccc1.
What is the InChIKey of N-[(2R)-2-(benzenesulfonyl)-2-[4-(dimethylamino)phenyl]ethyl]propane-1-sulfonamide?
The InChIKey is RCMQSKFPKSAIFM-IBGZPJMESA-N. The full InChI is InChI=1S/C19H26N2O4S2/c1-4-14-26(22,23)20-15-19(16-10-12-17(13-11-16)21(2)3)27(24,25)18-8-6-5-7-9-18/h5-13,19-20H,4,14-15H2,1-3H3/t19-/m0/s1.
What are the key properties of N-[(2R)-2-(benzenesulfonyl)-2-[4-(dimethylamino)phenyl]ethyl]propane-1-sulfonamide?
N-[(2R)-2-(benzenesulfonyl)-2-[4-(dimethylamino)phenyl]ethyl]propane-1-sulfonamide has a molecular weight of 410.56 g/mol, XLogP of 2.60, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-2-(benzenesulfonyl)-2-[4-(dimethylamino)phenyl]ethyl]propane-1-sulfonamide is sourced from PubChem (CID 9159185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).