5-chloro-2-methoxy-N-[2-[methylsulfonyl(propan-2-yl)amino]ethyl]benzenesulfonamide

C13H21ClN2O5S2 — CID 113065075

IUPAC5-chloro-2-methoxy-N-[2-[methylsulfonyl(propan-2-yl)amino]ethyl]benzenesulfonamide
SMILESCOc1ccc(Cl)cc1S(=O)(=O)NCCN(C(C)C)S(C)(=O)=O
InChIInChI=1S/C13H21ClN2O5S2/c1-10(2)16(22(4,17)18)8-7-15-23(19,20)13-9-11(14)5-6-12(13)21-3/h5-6,9-10,15H,7-8H2,1-4H3
InChIKeySIHKRGFTXRSUDR-UHFFFAOYSA-N
MW384.91 g/mol
LogP1.30
Rot. Bonds8

About 5-chloro-2-methoxy-N-[2-[methylsulfonyl(propan-2-yl)amino]ethyl]benzenesulfonamide

5-chloro-2-methoxy-N-[2-[methylsulfonyl(propan-2-yl)amino]ethyl]benzenesulfonamide (PubChem CID 113065075) has the molecular formula C13H21ClN2O5S2 and a molecular weight of 384.91 g/mol. Its IUPAC name is 5-chloro-2-methoxy-N-[2-[methylsulfonyl(propan-2-yl)amino]ethyl]benzenesulfonamide.

Molecular Properties

Compound Name5-chloro-2-methoxy-N-[2-[methylsulfonyl(propan-2-yl)amino]ethyl]benzenesulfonamide
PubChem CID113065075
Molecular FormulaC13H21ClN2O5S2
Molecular Weight384.91 g/mol
Exact Mass384.06
IUPAC Name5-chloro-2-methoxy-N-[2-[methylsulfonyl(propan-2-yl)amino]ethyl]benzenesulfonamide
SMILESCOc1ccc(Cl)cc1S(=O)(=O)NCCN(C(C)C)S(C)(=O)=O
InChIInChI=1S/C13H21ClN2O5S2/c1-10(2)16(22(4,17)18)8-7-15-23(19,20)13-9-11(14)5-6-12(13)21-3/h5-6,9-10,15H,7-8H2,1-4H3
InChIKeySIHKRGFTXRSUDR-UHFFFAOYSA-N
XLogP1.30
TPSA92.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.91
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-chloro-2-methoxy-N-propylbenzenesulfonamide
CID 2234484
propan-2-yl 2-[(5-chloro-2-methoxyphenyl)sulfonylamino]acetate
CID 3853421
5-chloro-N-[4-(diethylamino)butyl]-2-methoxybenzenesulfonamide
CID 110446678
5-chloro-2-methoxy-N-[2-(propylamino)ethyl]benzenesulfonamide
CID 120716555
N-[2-[butan-2-yl(methylsulfonyl)amino]ethyl]-3-chloro-4-methoxybenzenesulfonamide
CID 113065672
5-chloro-2-methoxy-N-[2-(methylamino)propyl]benzenesulfonamide;hydrochloride
CID 120824319
5-chloro-2-methoxy-N-[(2S)-2-phenylpropyl]benzenesulfonamide
CID 100551051
5-chloro-2-methoxy-N-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]benzenesulfonamide
CID 110359396
5-chloro-N-[(3,5-dimethoxyphenyl)methyl]-2-methoxybenzenesulfonamide
CID 110672576
5-chloro-N-(2-hydroxy-2-methylpropyl)-2-methoxybenzenesulfonamide
CID 110287793
5-amino-2-methoxy-N-[2-[methyl(propan-2-yl)amino]ethyl]benzenesulfonamide
CID 62635958
CID 70601990
CID 70601990

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-methoxy-N-[2-[methylsulfonyl(propan-2-yl)amino]ethyl]benzenesulfonamide?
The IUPAC name of 5-chloro-2-methoxy-N-[2-[methylsulfonyl(propan-2-yl)amino]ethyl]benzenesulfonamide (CID 113065075) is 5-chloro-2-methoxy-N-[2-[methylsulfonyl(propan-2-yl)amino]ethyl]benzenesulfonamide.
What is the SMILES notation for 5-chloro-2-methoxy-N-[2-[methylsulfonyl(propan-2-yl)amino]ethyl]benzenesulfonamide?
The canonical SMILES for 5-chloro-2-methoxy-N-[2-[methylsulfonyl(propan-2-yl)amino]ethyl]benzenesulfonamide is COc1ccc(Cl)cc1S(=O)(=O)NCCN(C(C)C)S(C)(=O)=O.
What is the InChIKey of 5-chloro-2-methoxy-N-[2-[methylsulfonyl(propan-2-yl)amino]ethyl]benzenesulfonamide?
The InChIKey is SIHKRGFTXRSUDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21ClN2O5S2/c1-10(2)16(22(4,17)18)8-7-15-23(19,20)13-9-11(14)5-6-12(13)21-3/h5-6,9-10,15H,7-8H2,1-4H3.
What are the key properties of 5-chloro-2-methoxy-N-[2-[methylsulfonyl(propan-2-yl)amino]ethyl]benzenesulfonamide?
5-chloro-2-methoxy-N-[2-[methylsulfonyl(propan-2-yl)amino]ethyl]benzenesulfonamide has a molecular weight of 384.91 g/mol, XLogP of 1.30, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-methoxy-N-[2-[methylsulfonyl(propan-2-yl)amino]ethyl]benzenesulfonamide is sourced from PubChem (CID 113065075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).