N-[2-[butan-2-yl(methylsulfonyl)amino]ethyl]-3-chloro-4-methoxybenzenesulfonamide

C14H23ClN2O5S2 — CID 113065672

IUPACN-[2-[butan-2-yl(methylsulfonyl)amino]ethyl]-3-chloro-4-methoxybenzenesulfonamide
SMILESCCC(C)N(CCNS(=O)(=O)c1ccc(OC)c(Cl)c1)S(C)(=O)=O
InChIInChI=1S/C14H23ClN2O5S2/c1-5-11(2)17(23(4,18)19)9-8-16-24(20,21)12-6-7-14(22-3)13(15)10-12/h6-7,10-11,16H,5,8-9H2,1-4H3
InChIKeyOIQLEFVMJLBVNN-UHFFFAOYSA-N
MW398.93 g/mol
LogP1.69
Rot. Bonds9

About N-[2-[butan-2-yl(methylsulfonyl)amino]ethyl]-3-chloro-4-methoxybenzenesulfonamide

N-[2-[butan-2-yl(methylsulfonyl)amino]ethyl]-3-chloro-4-methoxybenzenesulfonamide (PubChem CID 113065672) has the molecular formula C14H23ClN2O5S2 and a molecular weight of 398.93 g/mol. Its IUPAC name is N-[2-[butan-2-yl(methylsulfonyl)amino]ethyl]-3-chloro-4-methoxybenzenesulfonamide.

Molecular Properties

Compound NameN-[2-[butan-2-yl(methylsulfonyl)amino]ethyl]-3-chloro-4-methoxybenzenesulfonamide
PubChem CID113065672
Molecular FormulaC14H23ClN2O5S2
Molecular Weight398.93 g/mol
Exact Mass398.07
IUPAC NameN-[2-[butan-2-yl(methylsulfonyl)amino]ethyl]-3-chloro-4-methoxybenzenesulfonamide
SMILESCCC(C)N(CCNS(=O)(=O)c1ccc(OC)c(Cl)c1)S(C)(=O)=O
InChIInChI=1S/C14H23ClN2O5S2/c1-5-11(2)17(23(4,18)19)9-8-16-24(20,21)12-6-7-14(22-3)13(15)10-12/h6-7,10-11,16H,5,8-9H2,1-4H3
InChIKeyOIQLEFVMJLBVNN-UHFFFAOYSA-N
XLogP1.69
TPSA92.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.93
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-[butan-2-yl(methylsulfonyl)amino]ethyl]-4-methoxybenzenesulfonamide
CID 113065648
3-chloro-4-methoxy-N-(2-methylpropyl)benzenesulfonamide
CID 37477959
N-[2-[butan-2-yl(methylsulfonyl)amino]ethyl]-4-methylbenzenesulfonamide
CID 113065645
3-chloro-N-[2-(diethylamino)propyl]-4-methoxybenzenesulfonamide
CID 112502230
N-[2-[butan-2-yl(methylsulfonyl)amino]ethyl]-4-fluorobenzenesulfonamide
CID 113065646
N-butyl-N-[2-[(3-chloro-4-methoxyphenyl)sulfonylamino]ethyl]acetamide
CID 113052480
5-chloro-2-methoxy-N-[2-[methylsulfonyl(propan-2-yl)amino]ethyl]benzenesulfonamide
CID 113065075
3-chloro-N-(3-ethyl-2-hydroxypentyl)-4-methoxybenzenesulfonamide
CID 103835165
2-[butan-2-yl(methylsulfonyl)amino]-N-(3-chloro-4-methoxyphenyl)acetamide
CID 113148752
3-chloro-4-methoxy-N-[2-(4-methoxyphenyl)ethyl]benzenesulfonamide
CID 1254752
3-chloro-N-[2-(2-hydroxyethoxy)ethyl]-4-methoxybenzenesulfonamide
CID 62498134
3-chloro-4-methoxy-N-[(2S)-2-phenylpropyl]benzenesulfonamide
CID 37498470

Frequently Asked Questions

What is the IUPAC name of N-[2-[butan-2-yl(methylsulfonyl)amino]ethyl]-3-chloro-4-methoxybenzenesulfonamide?
The IUPAC name of N-[2-[butan-2-yl(methylsulfonyl)amino]ethyl]-3-chloro-4-methoxybenzenesulfonamide (CID 113065672) is N-[2-[butan-2-yl(methylsulfonyl)amino]ethyl]-3-chloro-4-methoxybenzenesulfonamide.
What is the SMILES notation for N-[2-[butan-2-yl(methylsulfonyl)amino]ethyl]-3-chloro-4-methoxybenzenesulfonamide?
The canonical SMILES for N-[2-[butan-2-yl(methylsulfonyl)amino]ethyl]-3-chloro-4-methoxybenzenesulfonamide is CCC(C)N(CCNS(=O)(=O)c1ccc(OC)c(Cl)c1)S(C)(=O)=O.
What is the InChIKey of N-[2-[butan-2-yl(methylsulfonyl)amino]ethyl]-3-chloro-4-methoxybenzenesulfonamide?
The InChIKey is OIQLEFVMJLBVNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23ClN2O5S2/c1-5-11(2)17(23(4,18)19)9-8-16-24(20,21)12-6-7-14(22-3)13(15)10-12/h6-7,10-11,16H,5,8-9H2,1-4H3.
What are the key properties of N-[2-[butan-2-yl(methylsulfonyl)amino]ethyl]-3-chloro-4-methoxybenzenesulfonamide?
N-[2-[butan-2-yl(methylsulfonyl)amino]ethyl]-3-chloro-4-methoxybenzenesulfonamide has a molecular weight of 398.93 g/mol, XLogP of 1.69, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[butan-2-yl(methylsulfonyl)amino]ethyl]-3-chloro-4-methoxybenzenesulfonamide is sourced from PubChem (CID 113065672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).