benzyl N-[(2S)-1-chlorosulfonyl-3-phenylpropan-2-yl]carbamate

C17H18ClNO4S — CID 11337603

IUPACbenzyl N-[(2S)-1-chlorosulfonyl-3-phenylpropan-2-yl]carbamate
SMILESO=C(N[C@@H](Cc1ccccc1)CS(=O)(=O)Cl)OCc1ccccc1
InChIInChI=1S/C17H18ClNO4S/c18-24(21,22)13-16(11-14-7-3-1-4-8-14)19-17(20)23-12-15-9-5-2-6-10-15/h1-10,16H,11-13H2,(H,19,20)/t16-/m0/s1
InChIKeyAVYZBQHZCAVMSQ-INIZCTEOSA-N
MW367.85 g/mol
LogP3.09
Rot. Bonds7

About benzyl N-[(2S)-1-chlorosulfonyl-3-phenylpropan-2-yl]carbamate

benzyl N-[(2S)-1-chlorosulfonyl-3-phenylpropan-2-yl]carbamate (PubChem CID 11337603) has the molecular formula C17H18ClNO4S and a molecular weight of 367.85 g/mol. Its IUPAC name is benzyl N-[(2S)-1-chlorosulfonyl-3-phenylpropan-2-yl]carbamate.

Molecular Properties

Compound Namebenzyl N-[(2S)-1-chlorosulfonyl-3-phenylpropan-2-yl]carbamate
PubChem CID11337603
Molecular FormulaC17H18ClNO4S
Molecular Weight367.85 g/mol
Exact Mass367.06
IUPAC Namebenzyl N-[(2S)-1-chlorosulfonyl-3-phenylpropan-2-yl]carbamate
SMILESO=C(N[C@@H](Cc1ccccc1)CS(=O)(=O)Cl)OCc1ccccc1
InChIInChI=1S/C17H18ClNO4S/c18-24(21,22)13-16(11-14-7-3-1-4-8-14)19-17(20)23-12-15-9-5-2-6-10-15/h1-10,16H,11-13H2,(H,19,20)/t16-/m0/s1
InChIKeyAVYZBQHZCAVMSQ-INIZCTEOSA-N
XLogP3.09
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 ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-3-phenyl-2-(phenylmethoxycarbonylamino)propane-1-sulfonic acid
CID 98005835
benzyl N-[(2S)-1-chloro-3-(4-phenylphenyl)propan-2-yl]carbamate
CID 176637453
benzyl N-[1-(4-fluorophenyl)-3-hydroxypropan-2-yl]carbamate
CID 85273603
benzyl 3-phenyl-2-(phenylmethoxycarbonylamino)propanoate
CID 4283517
benzyl N-[(1R)-1-fluoro-2-phenylethyl]carbamate
CID 11346335
benzyl N-[1-phenyl-3-(trifluoromethylsulfanyl)propan-2-yl]carbamate
CID 75529808
methoxy-[3-phenyl-2-(phenylmethoxycarbonylamino)propyl]phosphinic acid
CID 23213402
benzyl N-[1-(2-aminopropanoylamino)-3-phenylpropan-2-yl]carbamate
CID 76777603
5-oxo-5-phenylmethoxy-3-(phenylmethoxycarbonylamino)pentanoic acid
CID 131859948
benzyl N-[(1S)-4-chlorosulfonyl-1-phenylbutyl]carbamate
CID 11689462
benzyl N-[(2R)-1-amino-1-oxo-3-phenylpropan-2-yl]carbamate;hydrochloride
CID 159595061
(2S)-3-phenyl-2-(phenylmethoxycarbonylamino)propanoate
CID 6920101

Frequently Asked Questions

What is the IUPAC name of benzyl N-[(2S)-1-chlorosulfonyl-3-phenylpropan-2-yl]carbamate?
The IUPAC name of benzyl N-[(2S)-1-chlorosulfonyl-3-phenylpropan-2-yl]carbamate (CID 11337603) is benzyl N-[(2S)-1-chlorosulfonyl-3-phenylpropan-2-yl]carbamate.
What is the SMILES notation for benzyl N-[(2S)-1-chlorosulfonyl-3-phenylpropan-2-yl]carbamate?
The canonical SMILES for benzyl N-[(2S)-1-chlorosulfonyl-3-phenylpropan-2-yl]carbamate is O=C(N[C@@H](Cc1ccccc1)CS(=O)(=O)Cl)OCc1ccccc1.
What is the InChIKey of benzyl N-[(2S)-1-chlorosulfonyl-3-phenylpropan-2-yl]carbamate?
The InChIKey is AVYZBQHZCAVMSQ-INIZCTEOSA-N. The full InChI is InChI=1S/C17H18ClNO4S/c18-24(21,22)13-16(11-14-7-3-1-4-8-14)19-17(20)23-12-15-9-5-2-6-10-15/h1-10,16H,11-13H2,(H,19,20)/t16-/m0/s1.
What are the key properties of benzyl N-[(2S)-1-chlorosulfonyl-3-phenylpropan-2-yl]carbamate?
benzyl N-[(2S)-1-chlorosulfonyl-3-phenylpropan-2-yl]carbamate has a molecular weight of 367.85 g/mol, XLogP of 3.09, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[(2S)-1-chlorosulfonyl-3-phenylpropan-2-yl]carbamate is sourced from PubChem (CID 11337603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).