phenyl N-[(2S)-1-chlorosulfonyl-4-phenylbutan-2-yl]carbamate

C17H18ClNO4S — CID 59088823

IUPACphenyl N-[(2S)-1-chlorosulfonyl-4-phenylbutan-2-yl]carbamate
SMILESO=C(N[C@@H](CCc1ccccc1)CS(=O)(=O)Cl)Oc1ccccc1
InChIInChI=1S/C17H18ClNO4S/c18-24(21,22)13-15(12-11-14-7-3-1-4-8-14)19-17(20)23-16-9-5-2-6-10-16/h1-10,15H,11-13H2,(H,19,20)/t15-/m0/s1
InChIKeyIWBUKHAVEWACIK-HNNXBMFYSA-N
MW367.85 g/mol
LogP3.35
Rot. Bonds7

About phenyl N-[(2S)-1-chlorosulfonyl-4-phenylbutan-2-yl]carbamate

phenyl N-[(2S)-1-chlorosulfonyl-4-phenylbutan-2-yl]carbamate (PubChem CID 59088823) has the molecular formula C17H18ClNO4S and a molecular weight of 367.85 g/mol. Its IUPAC name is phenyl N-[(2S)-1-chlorosulfonyl-4-phenylbutan-2-yl]carbamate.

Molecular Properties

Compound Namephenyl N-[(2S)-1-chlorosulfonyl-4-phenylbutan-2-yl]carbamate
PubChem CID59088823
Molecular FormulaC17H18ClNO4S
Molecular Weight367.85 g/mol
Exact Mass367.06
IUPAC Namephenyl N-[(2S)-1-chlorosulfonyl-4-phenylbutan-2-yl]carbamate
SMILESO=C(N[C@@H](CCc1ccccc1)CS(=O)(=O)Cl)Oc1ccccc1
InChIInChI=1S/C17H18ClNO4S/c18-24(21,22)13-15(12-11-14-7-3-1-4-8-14)19-17(20)23-16-9-5-2-6-10-16/h1-10,15H,11-13H2,(H,19,20)/t15-/m0/s1
InChIKeyIWBUKHAVEWACIK-HNNXBMFYSA-N
XLogP3.35
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.85
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

benzyl N-[(2S)-1-chlorosulfonyl-3-phenylpropan-2-yl]carbamate
CID 11337603
tert-butyl N-(1-chlorosulfonyl-3-phenylpropan-2-yl)carbamate
CID 85362370
phenyl N-(2-phenylethyl)carbamate
CID 12632743
methyl 3-oxo-2-(phenoxycarbonylamino)-5-phenylpentanoate
CID 139842659
5-phenyl-3-[(2-phenylacetyl)amino]pentanoic acid
CID 67362922
phenyl N-[1-(benzylamino)-3-hydroxy-1-oxopropan-2-yl]carbamate
CID 23940970
phenyl N-(1-amino-3-methoxypropan-2-yl)carbamate
CID 106181068
methyl N-[(2S)-4-phenylbutan-2-yl]carbamate
CID 888027
2-amino-N-(1,5-diphenylpentan-3-yl)acetamide
CID 119340752
tert-butyl N-[(3R)-5-methyl-1-phenylhexan-3-yl]carbamate
CID 102586940
[4-(4-phenylbutan-2-ylcarbamoyl)phenyl] acetate
CID 3865423
benzyl N-(1-phenylhex-5-en-3-yl)carbamate
CID 11120434

Frequently Asked Questions

What is the IUPAC name of phenyl N-[(2S)-1-chlorosulfonyl-4-phenylbutan-2-yl]carbamate?
The IUPAC name of phenyl N-[(2S)-1-chlorosulfonyl-4-phenylbutan-2-yl]carbamate (CID 59088823) is phenyl N-[(2S)-1-chlorosulfonyl-4-phenylbutan-2-yl]carbamate.
What is the SMILES notation for phenyl N-[(2S)-1-chlorosulfonyl-4-phenylbutan-2-yl]carbamate?
The canonical SMILES for phenyl N-[(2S)-1-chlorosulfonyl-4-phenylbutan-2-yl]carbamate is O=C(N[C@@H](CCc1ccccc1)CS(=O)(=O)Cl)Oc1ccccc1.
What is the InChIKey of phenyl N-[(2S)-1-chlorosulfonyl-4-phenylbutan-2-yl]carbamate?
The InChIKey is IWBUKHAVEWACIK-HNNXBMFYSA-N. The full InChI is InChI=1S/C17H18ClNO4S/c18-24(21,22)13-15(12-11-14-7-3-1-4-8-14)19-17(20)23-16-9-5-2-6-10-16/h1-10,15H,11-13H2,(H,19,20)/t15-/m0/s1.
What are the key properties of phenyl N-[(2S)-1-chlorosulfonyl-4-phenylbutan-2-yl]carbamate?
phenyl N-[(2S)-1-chlorosulfonyl-4-phenylbutan-2-yl]carbamate has a molecular weight of 367.85 g/mol, XLogP of 3.35, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl N-[(2S)-1-chlorosulfonyl-4-phenylbutan-2-yl]carbamate is sourced from PubChem (CID 59088823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).