N-cyclopropyl-N-[(1S)-1-cyclopropylethyl]-4-methylsulfonylbenzenesulfonamide

C15H21NO4S2 — CID 38879150

IUPACN-cyclopropyl-N-[(1S)-1-cyclopropylethyl]-4-methylsulfonylbenzenesulfonamide
SMILESC[C@@H](C1CC1)N(C1CC1)S(=O)(=O)c1ccc(S(C)(=O)=O)cc1
InChIInChI=1S/C15H21NO4S2/c1-11(12-3-4-12)16(13-5-6-13)22(19,20)15-9-7-14(8-10-15)21(2,17)18/h7-13H,3-6H2,1-2H3/t11-/m0/s1
InChIKeyUWDITDSGCKAWBL-NSHDSACASA-N
MW343.47 g/mol
LogP2.04
Rot. Bonds6

About N-cyclopropyl-N-[(1S)-1-cyclopropylethyl]-4-methylsulfonylbenzenesulfonamide

N-cyclopropyl-N-[(1S)-1-cyclopropylethyl]-4-methylsulfonylbenzenesulfonamide (PubChem CID 38879150) has the molecular formula C15H21NO4S2 and a molecular weight of 343.47 g/mol. Its IUPAC name is N-cyclopropyl-N-[(1S)-1-cyclopropylethyl]-4-methylsulfonylbenzenesulfonamide.

Molecular Properties

Compound NameN-cyclopropyl-N-[(1S)-1-cyclopropylethyl]-4-methylsulfonylbenzenesulfonamide
PubChem CID38879150
Molecular FormulaC15H21NO4S2
Molecular Weight343.47 g/mol
Exact Mass343.09
IUPAC NameN-cyclopropyl-N-[(1S)-1-cyclopropylethyl]-4-methylsulfonylbenzenesulfonamide
SMILESC[C@@H](C1CC1)N(C1CC1)S(=O)(=O)c1ccc(S(C)(=O)=O)cc1
InChIInChI=1S/C15H21NO4S2/c1-11(12-3-4-12)16(13-5-6-13)22(19,20)15-9-7-14(8-10-15)21(2,17)18/h7-13H,3-6H2,1-2H3/t11-/m0/s1
InChIKeyUWDITDSGCKAWBL-NSHDSACASA-N
XLogP2.04
TPSA71.52 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.47
LogP ≤ 52.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze N-cyclopropyl-N-[(1S)-1-cyclopropylethyl]-4-methylsulfonylbenzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N-[(1S)-1-cyclopropylethyl]-4-methylsulfonylbenzenesulfonamide?
The IUPAC name of N-cyclopropyl-N-[(1S)-1-cyclopropylethyl]-4-methylsulfonylbenzenesulfonamide (CID 38879150) is N-cyclopropyl-N-[(1S)-1-cyclopropylethyl]-4-methylsulfonylbenzenesulfonamide.
What is the SMILES notation for N-cyclopropyl-N-[(1S)-1-cyclopropylethyl]-4-methylsulfonylbenzenesulfonamide?
The canonical SMILES for N-cyclopropyl-N-[(1S)-1-cyclopropylethyl]-4-methylsulfonylbenzenesulfonamide is C[C@@H](C1CC1)N(C1CC1)S(=O)(=O)c1ccc(S(C)(=O)=O)cc1.
What is the InChIKey of N-cyclopropyl-N-[(1S)-1-cyclopropylethyl]-4-methylsulfonylbenzenesulfonamide?
The InChIKey is UWDITDSGCKAWBL-NSHDSACASA-N. The full InChI is InChI=1S/C15H21NO4S2/c1-11(12-3-4-12)16(13-5-6-13)22(19,20)15-9-7-14(8-10-15)21(2,17)18/h7-13H,3-6H2,1-2H3/t11-/m0/s1.
What are the key properties of N-cyclopropyl-N-[(1S)-1-cyclopropylethyl]-4-methylsulfonylbenzenesulfonamide?
N-cyclopropyl-N-[(1S)-1-cyclopropylethyl]-4-methylsulfonylbenzenesulfonamide has a molecular weight of 343.47 g/mol, XLogP of 2.04, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-N-[(1S)-1-cyclopropylethyl]-4-methylsulfonylbenzenesulfonamide is sourced from PubChem (CID 38879150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).